USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 HIS : no HD1:sc= 0.66 K(o=1.7,f=-1.2) USER MOD Set 1.2: A 74 SER OG : rot 122:sc= 1.06 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -118:sc= -0.0122 (180deg=-0.281) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -1.27 (180deg=-1.53) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.695 F(o=-1.4,f=-0.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -1.25 F(o=-3.2!,f=-1.3) USER MOD Single : A 31 THR OG1 : rot 55:sc= 0.842 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0.0568 (180deg=-0.357!) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 45 CYS SG : rot 33:sc= -2.38! USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0989 F(o=-2,f=-0.099) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.599 F(o=-10!,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= -0.026 (180deg=-0.391) USER MOD Single : A 67 HIS : no HD1:sc= 0.263 K(o=0.26,f=-1.2) USER MOD Single : A 68 HIS : no HD1:sc= -1.97 K(o=-2,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 135:sc= -5.12! USER MOD Single : A 77 TYR OH : rot -140:sc= -0.165 USER MOD Single : A 80 HIS : no HD1:sc= -0.0526 K(o=-0.053,f=-2.2!) USER MOD Single : A 82 SER OG : rot 140:sc= -0.31 USER MOD Single : A 83 CYS SG : rot -170:sc= -1.81 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= -1.56! (180deg=-3.75!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.57 (180deg=-0.947!) USER MOD Single : A 95 THR OG1 : rot 140:sc= -3.65! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 108:sc= -0.0413! USER MOD Single : A 108 THR OG1 : rot 30:sc= -0.0589! USER MOD Single : A 110 ASN :FLIP amide:sc= -16.2! C(o=-22!,f=-16!) USER MOD Single : A 111 GLN : amide:sc= -0.0906 X(o=-0.091,f=-0.0019) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= -2.3! (180deg=-2.99!) USER MOD Single : A 118 GLN :FLIP amide:sc=-0.000732 F(o=-0.59,f=-0.00073) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.151 -8.274 86.938 1.00 0.00 N ATOM 44 CA LYS A 4 -6.900 -7.921 88.359 1.00 0.00 C ATOM 45 C LYS A 4 -6.204 -9.089 89.067 1.00 0.00 C ATOM 46 O LYS A 4 -5.030 -9.027 89.372 1.00 0.00 O ATOM 47 CB LYS A 4 -8.238 -7.605 89.034 1.00 0.00 C ATOM 48 CG LYS A 4 -8.988 -6.562 88.195 1.00 0.00 C ATOM 49 CD LYS A 4 -10.053 -5.866 89.048 1.00 0.00 C ATOM 50 CE LYS A 4 -10.826 -4.869 88.179 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.597 -3.937 89.050 1.00 0.00 N ATOM 0 HA LYS A 4 -6.251 -7.047 88.418 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.835 -8.512 89.129 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.071 -7.227 90.043 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.286 -5.826 87.804 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.456 -7.043 87.336 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.736 -6.603 89.471 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.584 -5.349 89.885 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.135 -4.307 87.551 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.503 -5.402 87.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.121 -3.261 88.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.267 -4.480 89.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.942 -3.419 89.670 1.00 0.00 H new ATOM 65 N GLU A 5 -6.913 -10.153 89.330 1.00 0.00 N ATOM 66 CA GLU A 5 -6.283 -11.318 90.021 1.00 0.00 C ATOM 67 C GLU A 5 -4.932 -11.647 89.371 1.00 0.00 C ATOM 68 O GLU A 5 -4.109 -12.332 89.947 1.00 0.00 O ATOM 69 CB GLU A 5 -7.210 -12.536 89.914 1.00 0.00 C ATOM 70 CG GLU A 5 -8.263 -12.485 91.026 1.00 0.00 C ATOM 71 CD GLU A 5 -8.957 -11.122 91.015 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.306 -10.145 91.346 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.130 -11.079 90.678 1.00 0.00 O ATOM 0 H GLU A 5 -7.900 -10.267 89.097 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.123 -11.068 91.070 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.697 -12.549 88.939 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.629 -13.455 89.992 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.996 -13.279 90.883 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.792 -12.657 91.994 1.00 0.00 H new ATOM 80 N PHE A 6 -4.698 -11.172 88.178 1.00 0.00 N ATOM 81 CA PHE A 6 -3.403 -11.472 87.499 1.00 0.00 C ATOM 82 C PHE A 6 -2.273 -10.680 88.177 1.00 0.00 C ATOM 83 O PHE A 6 -1.493 -11.228 88.930 1.00 0.00 O ATOM 84 CB PHE A 6 -3.497 -11.083 86.015 1.00 0.00 C ATOM 85 CG PHE A 6 -2.492 -11.859 85.172 1.00 0.00 C ATOM 86 CD1 PHE A 6 -1.361 -12.462 85.752 1.00 0.00 C ATOM 87 CD2 PHE A 6 -2.706 -11.973 83.790 1.00 0.00 C ATOM 88 CE1 PHE A 6 -0.456 -13.170 84.948 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.798 -12.681 82.993 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.676 -13.280 83.571 1.00 0.00 C ATOM 0 H PHE A 6 -5.345 -10.591 87.645 1.00 0.00 H new ATOM 0 HA PHE A 6 -3.190 -12.538 87.576 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.506 -11.276 85.650 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.317 -10.014 85.906 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.190 -12.380 86.815 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.573 -11.513 83.340 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.413 -13.632 85.393 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.965 -12.764 81.929 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.021 -13.828 82.955 1.00 0.00 H new ATOM 100 N MET A 7 -2.164 -9.403 87.909 1.00 0.00 N ATOM 101 CA MET A 7 -1.064 -8.610 88.537 1.00 0.00 C ATOM 102 C MET A 7 -1.256 -8.556 90.055 1.00 0.00 C ATOM 103 O MET A 7 -0.318 -8.343 90.798 1.00 0.00 O ATOM 104 CB MET A 7 -1.024 -7.191 87.940 1.00 0.00 C ATOM 105 CG MET A 7 -2.006 -6.264 88.664 1.00 0.00 C ATOM 106 SD MET A 7 -3.683 -6.910 88.475 1.00 0.00 S ATOM 107 CE MET A 7 -3.972 -6.315 86.790 1.00 0.00 C ATOM 0 H MET A 7 -2.782 -8.880 87.289 1.00 0.00 H new ATOM 0 HA MET A 7 -0.111 -9.096 88.328 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.014 -6.788 88.017 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.271 -7.232 86.879 1.00 0.00 H new ATOM 0 HG2 MET A 7 -1.747 -6.194 89.721 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.943 -5.256 88.253 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.807 -5.615 86.790 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.077 -5.812 86.423 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.206 -7.159 86.141 1.00 0.00 H new ATOM 117 N TRP A 8 -2.457 -8.748 90.527 1.00 0.00 N ATOM 118 CA TRP A 8 -2.685 -8.706 92.000 1.00 0.00 C ATOM 119 C TRP A 8 -1.845 -9.791 92.676 1.00 0.00 C ATOM 120 O TRP A 8 -1.499 -9.691 93.836 1.00 0.00 O ATOM 121 CB TRP A 8 -4.168 -8.943 92.304 1.00 0.00 C ATOM 122 CG TRP A 8 -4.479 -8.454 93.683 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.214 -9.129 94.825 1.00 0.00 C ATOM 124 CD2 TRP A 8 -5.109 -7.203 94.082 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.639 -8.372 95.900 1.00 0.00 N ATOM 126 CE2 TRP A 8 -5.199 -7.176 95.494 1.00 0.00 C ATOM 127 CE3 TRP A 8 -5.608 -6.102 93.364 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -5.760 -6.093 96.170 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -6.174 -5.010 94.041 1.00 0.00 C ATOM 130 CH2 TRP A 8 -6.250 -5.005 95.441 1.00 0.00 C ATOM 0 H TRP A 8 -3.286 -8.931 89.961 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.393 -7.727 92.381 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.788 -8.422 91.574 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.402 -10.004 92.222 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.747 -10.101 94.886 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.550 -8.661 96.874 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.556 -6.096 92.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -5.816 -6.095 97.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -6.553 -4.169 93.480 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.686 -4.162 95.956 1.00 0.00 H new ATOM 141 N ALA A 9 -1.514 -10.827 91.959 1.00 0.00 N ATOM 142 CA ALA A 9 -0.697 -11.919 92.552 1.00 0.00 C ATOM 143 C ALA A 9 0.784 -11.579 92.398 1.00 0.00 C ATOM 144 O ALA A 9 1.539 -11.604 93.349 1.00 0.00 O ATOM 145 CB ALA A 9 -1.003 -13.239 91.838 1.00 0.00 C ATOM 0 H ALA A 9 -1.776 -10.964 90.983 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.939 -12.023 93.610 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.403 -14.037 92.275 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.061 -13.477 91.951 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.764 -13.144 90.779 1.00 0.00 H new ATOM 151 N LEU A 10 1.204 -11.249 91.209 1.00 0.00 N ATOM 152 CA LEU A 10 2.632 -10.894 91.003 1.00 0.00 C ATOM 153 C LEU A 10 3.047 -9.862 92.052 1.00 0.00 C ATOM 154 O LEU A 10 4.204 -9.727 92.398 1.00 0.00 O ATOM 155 CB LEU A 10 2.801 -10.263 89.621 1.00 0.00 C ATOM 156 CG LEU A 10 2.681 -11.328 88.515 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.662 -10.882 87.460 1.00 0.00 C ATOM 158 CD2 LEU A 10 4.046 -11.524 87.844 1.00 0.00 C ATOM 0 H LEU A 10 0.620 -11.210 90.373 1.00 0.00 H new ATOM 0 HA LEU A 10 3.244 -11.792 91.087 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.045 -9.492 89.473 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.772 -9.773 89.556 1.00 0.00 H new ATOM 0 HG LEU A 10 2.348 -12.265 88.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.586 -11.643 86.683 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.688 -10.744 87.930 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.987 -9.941 87.016 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.962 -12.278 87.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.375 -10.581 87.406 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.773 -11.852 88.587 1.00 0.00 H new ATOM 170 N LYS A 11 2.098 -9.106 92.515 1.00 0.00 N ATOM 171 CA LYS A 11 2.387 -8.027 93.505 1.00 0.00 C ATOM 172 C LYS A 11 2.254 -8.517 94.956 1.00 0.00 C ATOM 173 O LYS A 11 3.176 -8.407 95.737 1.00 0.00 O ATOM 174 CB LYS A 11 1.389 -6.896 93.276 1.00 0.00 C ATOM 175 CG LYS A 11 1.585 -5.789 94.328 1.00 0.00 C ATOM 176 CD LYS A 11 0.465 -5.863 95.376 1.00 0.00 C ATOM 177 CE LYS A 11 -0.892 -5.588 94.713 1.00 0.00 C ATOM 178 NZ LYS A 11 -1.694 -6.844 94.681 1.00 0.00 N ATOM 0 H LYS A 11 1.117 -9.188 92.248 1.00 0.00 H new ATOM 0 HA LYS A 11 3.416 -7.696 93.361 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.520 -6.484 92.276 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.372 -7.283 93.331 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.556 -5.902 94.811 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.580 -4.811 93.846 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.458 -6.847 95.844 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.647 -5.135 96.167 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.428 -4.816 95.264 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.744 -5.212 93.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.508 -6.720 94.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.101 -7.626 94.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.033 -7.064 95.639 1.00 0.00 H new ATOM 192 N ASN A 12 1.100 -9.005 95.337 1.00 0.00 N ATOM 193 CA ASN A 12 0.900 -9.436 96.757 1.00 0.00 C ATOM 194 C ASN A 12 1.548 -10.792 97.011 1.00 0.00 C ATOM 195 O ASN A 12 1.153 -11.532 97.891 1.00 0.00 O ATOM 196 CB ASN A 12 -0.593 -9.524 97.037 1.00 0.00 C ATOM 197 CG ASN A 12 -0.823 -9.726 98.534 1.00 0.00 C ATOM 198 OD1 ASN A 12 -0.085 -9.070 99.387 1.00 0.00 O flip ATOM 199 ND2 ASN A 12 -1.682 -10.487 98.932 1.00 0.00 N flip ATOM 0 H ASN A 12 0.289 -9.124 94.729 1.00 0.00 H new ATOM 0 HA ASN A 12 1.367 -8.706 97.418 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.090 -8.614 96.702 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.030 -10.351 96.477 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.258 -10.999 98.265 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.827 -10.614 99.934 1.00 0.00 H new ATOM 206 N GLY A 13 2.564 -11.101 96.274 1.00 0.00 N ATOM 207 CA GLY A 13 3.283 -12.383 96.484 1.00 0.00 C ATOM 208 C GLY A 13 2.333 -13.579 96.427 1.00 0.00 C ATOM 209 O GLY A 13 2.699 -14.668 96.821 1.00 0.00 O ATOM 0 H GLY A 13 2.935 -10.516 95.525 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.056 -12.496 95.724 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.787 -12.364 97.450 1.00 0.00 H new ATOM 213 N ASP A 14 1.135 -13.421 95.930 1.00 0.00 N ATOM 214 CA ASP A 14 0.240 -14.603 95.853 1.00 0.00 C ATOM 215 C ASP A 14 0.846 -15.545 94.825 1.00 0.00 C ATOM 216 O ASP A 14 0.219 -15.973 93.878 1.00 0.00 O ATOM 217 CB ASP A 14 -1.166 -14.201 95.430 1.00 0.00 C ATOM 218 CG ASP A 14 -1.525 -12.848 96.048 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.993 -12.543 97.104 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.331 -12.144 95.462 1.00 0.00 O ATOM 0 H ASP A 14 0.747 -12.544 95.582 1.00 0.00 H new ATOM 0 HA ASP A 14 0.156 -15.080 96.829 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.226 -14.142 94.343 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.882 -14.958 95.749 1.00 0.00 H new ATOM 225 N LEU A 15 2.087 -15.833 95.025 1.00 0.00 N ATOM 226 CA LEU A 15 2.844 -16.715 94.113 1.00 0.00 C ATOM 227 C LEU A 15 2.034 -17.977 93.816 1.00 0.00 C ATOM 228 O LEU A 15 2.187 -18.602 92.787 1.00 0.00 O ATOM 229 CB LEU A 15 4.167 -17.046 94.810 1.00 0.00 C ATOM 230 CG LEU A 15 5.052 -17.955 93.951 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.567 -19.410 94.038 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.046 -17.486 92.489 1.00 0.00 C ATOM 0 H LEU A 15 2.630 -15.481 95.813 1.00 0.00 H new ATOM 0 HA LEU A 15 3.038 -16.230 93.156 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.702 -16.122 95.032 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.963 -17.533 95.764 1.00 0.00 H new ATOM 0 HG LEU A 15 6.072 -17.900 94.332 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.205 -20.044 93.423 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.611 -19.747 95.074 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.540 -19.473 93.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.680 -18.143 91.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.028 -17.515 92.102 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.426 -16.466 92.433 1.00 0.00 H new ATOM 244 N ASP A 16 1.163 -18.348 94.704 1.00 0.00 N ATOM 245 CA ASP A 16 0.331 -19.553 94.482 1.00 0.00 C ATOM 246 C ASP A 16 -0.627 -19.314 93.310 1.00 0.00 C ATOM 247 O ASP A 16 -0.988 -20.226 92.589 1.00 0.00 O ATOM 248 CB ASP A 16 -0.472 -19.830 95.749 1.00 0.00 C ATOM 249 CG ASP A 16 0.483 -20.042 96.926 1.00 0.00 C ATOM 250 OD1 ASP A 16 1.476 -19.338 96.993 1.00 0.00 O ATOM 251 OD2 ASP A 16 0.203 -20.907 97.741 1.00 0.00 O ATOM 0 H ASP A 16 0.991 -17.862 95.584 1.00 0.00 H new ATOM 0 HA ASP A 16 0.969 -20.405 94.249 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.142 -18.996 95.957 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.096 -20.713 95.610 1.00 0.00 H new ATOM 256 N GLU A 17 -1.052 -18.092 93.123 1.00 0.00 N ATOM 257 CA GLU A 17 -2.004 -17.789 92.014 1.00 0.00 C ATOM 258 C GLU A 17 -1.269 -17.768 90.671 1.00 0.00 C ATOM 259 O GLU A 17 -1.711 -18.365 89.709 1.00 0.00 O ATOM 260 CB GLU A 17 -2.655 -16.426 92.263 1.00 0.00 C ATOM 261 CG GLU A 17 -3.750 -16.566 93.323 1.00 0.00 C ATOM 262 CD GLU A 17 -4.376 -15.197 93.593 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.134 -14.293 92.810 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.085 -15.076 94.578 1.00 0.00 O ATOM 0 H GLU A 17 -0.780 -17.290 93.691 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.770 -18.564 91.983 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.904 -15.708 92.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.079 -16.040 91.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.513 -17.266 92.983 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.331 -16.974 94.243 1.00 0.00 H new ATOM 271 N VAL A 18 -0.151 -17.105 90.587 1.00 0.00 N ATOM 272 CA VAL A 18 0.580 -17.081 89.289 1.00 0.00 C ATOM 273 C VAL A 18 1.070 -18.494 89.003 1.00 0.00 C ATOM 274 O VAL A 18 1.229 -18.895 87.869 1.00 0.00 O ATOM 275 CB VAL A 18 1.793 -16.137 89.376 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.481 -14.791 88.712 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.158 -15.918 90.845 1.00 0.00 C ATOM 0 H VAL A 18 0.285 -16.585 91.349 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.082 -16.727 88.498 1.00 0.00 H new ATOM 0 HB VAL A 18 2.633 -16.592 88.851 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.351 -14.139 88.785 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.235 -14.952 87.662 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.635 -14.324 89.216 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.017 -15.250 90.911 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.311 -15.473 91.368 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.406 -16.875 91.305 1.00 0.00 H new ATOM 287 N LYS A 19 1.303 -19.250 90.032 1.00 0.00 N ATOM 288 CA LYS A 19 1.772 -20.642 89.840 1.00 0.00 C ATOM 289 C LYS A 19 0.766 -21.386 88.967 1.00 0.00 C ATOM 290 O LYS A 19 1.117 -22.245 88.183 1.00 0.00 O ATOM 291 CB LYS A 19 1.890 -21.319 91.209 1.00 0.00 C ATOM 292 CG LYS A 19 2.563 -22.695 91.072 1.00 0.00 C ATOM 293 CD LYS A 19 3.620 -22.874 92.174 1.00 0.00 C ATOM 294 CE LYS A 19 4.912 -22.150 91.777 1.00 0.00 C ATOM 295 NZ LYS A 19 5.801 -23.096 91.044 1.00 0.00 N ATOM 0 H LYS A 19 1.188 -18.961 91.004 1.00 0.00 H new ATOM 0 HA LYS A 19 2.746 -20.653 89.351 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.470 -20.689 91.884 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.900 -21.434 91.651 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.814 -23.484 91.143 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.029 -22.785 90.091 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.245 -22.478 93.118 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.820 -23.934 92.330 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.682 -21.289 91.150 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.418 -21.771 92.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.679 -22.608 90.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.029 -23.904 91.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.316 -23.436 90.189 1.00 0.00 H new ATOM 309 N ASP A 20 -0.484 -21.052 89.101 1.00 0.00 N ATOM 310 CA ASP A 20 -1.542 -21.721 88.293 1.00 0.00 C ATOM 311 C ASP A 20 -1.478 -21.256 86.828 1.00 0.00 C ATOM 312 O ASP A 20 -1.690 -22.028 85.909 1.00 0.00 O ATOM 313 CB ASP A 20 -2.918 -21.369 88.877 1.00 0.00 C ATOM 314 CG ASP A 20 -3.917 -22.484 88.554 1.00 0.00 C ATOM 315 OD1 ASP A 20 -3.873 -23.504 89.223 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.711 -22.298 87.647 1.00 0.00 O ATOM 0 H ASP A 20 -0.824 -20.336 89.743 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.383 -22.799 88.326 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.843 -21.237 89.956 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.268 -20.423 88.464 1.00 0.00 H new ATOM 321 N TYR A 21 -1.216 -19.995 86.609 1.00 0.00 N ATOM 322 CA TYR A 21 -1.175 -19.461 85.214 1.00 0.00 C ATOM 323 C TYR A 21 -0.125 -20.194 84.370 1.00 0.00 C ATOM 324 O TYR A 21 -0.445 -20.800 83.366 1.00 0.00 O ATOM 325 CB TYR A 21 -0.840 -17.963 85.256 1.00 0.00 C ATOM 326 CG TYR A 21 -2.099 -17.163 85.511 1.00 0.00 C ATOM 327 CD1 TYR A 21 -2.744 -17.250 86.750 1.00 0.00 C ATOM 328 CD2 TYR A 21 -2.616 -16.331 84.510 1.00 0.00 C ATOM 329 CE1 TYR A 21 -3.908 -16.507 86.988 1.00 0.00 C ATOM 330 CE2 TYR A 21 -3.780 -15.590 84.748 1.00 0.00 C ATOM 331 CZ TYR A 21 -4.425 -15.677 85.987 1.00 0.00 C ATOM 332 OH TYR A 21 -5.572 -14.945 86.220 1.00 0.00 O ATOM 0 H TYR A 21 -1.028 -19.308 87.339 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.152 -19.617 84.756 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.108 -17.766 86.040 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.388 -17.656 84.313 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.345 -17.890 87.523 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.117 -16.261 83.555 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.406 -16.575 87.944 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.180 -14.951 83.975 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.793 -14.421 85.422 1.00 0.00 H new ATOM 342 N VAL A 22 1.121 -20.130 84.741 1.00 0.00 N ATOM 343 CA VAL A 22 2.162 -20.811 83.920 1.00 0.00 C ATOM 344 C VAL A 22 1.936 -22.324 83.952 1.00 0.00 C ATOM 345 O VAL A 22 2.455 -23.053 83.130 1.00 0.00 O ATOM 346 CB VAL A 22 3.562 -20.454 84.452 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.269 -21.697 85.009 1.00 0.00 C ATOM 348 CG2 VAL A 22 4.405 -19.873 83.312 1.00 0.00 C ATOM 0 H VAL A 22 1.463 -19.641 85.568 1.00 0.00 H new ATOM 0 HA VAL A 22 2.091 -20.473 82.886 1.00 0.00 H new ATOM 0 HB VAL A 22 3.450 -19.723 85.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.256 -21.419 85.379 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.680 -22.115 85.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.374 -22.441 84.219 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.397 -19.619 83.686 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.495 -20.610 82.514 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.923 -18.976 82.924 1.00 0.00 H new ATOM 358 N ALA A 23 1.166 -22.805 84.889 1.00 0.00 N ATOM 359 CA ALA A 23 0.918 -24.267 84.951 1.00 0.00 C ATOM 360 C ALA A 23 0.304 -24.698 83.625 1.00 0.00 C ATOM 361 O ALA A 23 0.438 -25.829 83.198 1.00 0.00 O ATOM 362 CB ALA A 23 -0.055 -24.577 86.092 1.00 0.00 C ATOM 0 H ALA A 23 0.702 -22.251 85.609 1.00 0.00 H new ATOM 0 HA ALA A 23 1.851 -24.802 85.130 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.235 -25.651 86.135 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.374 -24.243 87.037 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.997 -24.058 85.918 1.00 0.00 H new ATOM 368 N LYS A 24 -0.359 -23.789 82.965 1.00 0.00 N ATOM 369 CA LYS A 24 -0.983 -24.113 81.656 1.00 0.00 C ATOM 370 C LYS A 24 0.107 -24.492 80.648 1.00 0.00 C ATOM 371 O LYS A 24 0.356 -25.655 80.403 1.00 0.00 O ATOM 372 CB LYS A 24 -1.771 -22.901 81.151 1.00 0.00 C ATOM 373 CG LYS A 24 -3.159 -22.879 81.803 1.00 0.00 C ATOM 374 CD LYS A 24 -3.016 -22.936 83.330 1.00 0.00 C ATOM 375 CE LYS A 24 -4.380 -22.701 83.993 1.00 0.00 C ATOM 376 NZ LYS A 24 -5.020 -24.014 84.289 1.00 0.00 N ATOM 0 H LYS A 24 -0.495 -22.829 83.281 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.665 -24.955 81.774 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.234 -21.982 81.386 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.869 -22.945 80.066 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.693 -21.975 81.512 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.749 -23.725 81.452 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.618 -23.905 83.631 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.304 -22.182 83.665 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.256 -22.129 84.913 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.020 -22.112 83.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.945 -23.856 84.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.151 -24.544 83.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.411 -24.560 84.932 1.00 0.00 H new ATOM 390 N GLY A 25 0.748 -23.525 80.048 1.00 0.00 N ATOM 391 CA GLY A 25 1.812 -23.854 79.059 1.00 0.00 C ATOM 392 C GLY A 25 2.647 -22.614 78.722 1.00 0.00 C ATOM 393 O GLY A 25 2.347 -21.877 77.805 1.00 0.00 O ATOM 0 H GLY A 25 0.582 -22.530 80.199 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.458 -24.635 79.460 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.359 -24.251 78.150 1.00 0.00 H new ATOM 397 N GLU A 26 3.703 -22.404 79.459 1.00 0.00 N ATOM 398 CA GLU A 26 4.612 -21.239 79.218 1.00 0.00 C ATOM 399 C GLU A 26 3.841 -20.012 78.720 1.00 0.00 C ATOM 400 O GLU A 26 3.491 -19.900 77.562 1.00 0.00 O ATOM 401 CB GLU A 26 5.706 -21.608 78.207 1.00 0.00 C ATOM 402 CG GLU A 26 5.131 -22.463 77.078 1.00 0.00 C ATOM 403 CD GLU A 26 6.234 -22.742 76.055 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.490 -21.872 75.239 1.00 0.00 O ATOM 405 OE2 GLU A 26 6.808 -23.817 76.109 1.00 0.00 O ATOM 0 H GLU A 26 3.983 -23.003 80.236 1.00 0.00 H new ATOM 0 HA GLU A 26 5.073 -20.986 80.173 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.148 -20.701 77.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.505 -22.151 78.711 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.741 -23.400 77.476 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.297 -21.947 76.602 1.00 0.00 H new ATOM 412 N ASP A 27 3.618 -19.075 79.595 1.00 0.00 N ATOM 413 CA ASP A 27 2.916 -17.816 79.220 1.00 0.00 C ATOM 414 C ASP A 27 3.531 -16.699 80.057 1.00 0.00 C ATOM 415 O ASP A 27 2.845 -15.862 80.608 1.00 0.00 O ATOM 416 CB ASP A 27 1.421 -17.929 79.533 1.00 0.00 C ATOM 417 CG ASP A 27 0.721 -18.738 78.438 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.333 -18.957 77.406 1.00 0.00 O ATOM 419 OD2 ASP A 27 -0.416 -19.122 78.651 1.00 0.00 O ATOM 0 H ASP A 27 3.898 -19.129 80.574 1.00 0.00 H new ATOM 0 HA ASP A 27 3.024 -17.618 78.154 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.278 -18.410 80.501 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.979 -16.935 79.603 1.00 0.00 H new ATOM 424 N VAL A 28 4.830 -16.715 80.181 1.00 0.00 N ATOM 425 CA VAL A 28 5.526 -15.694 81.009 1.00 0.00 C ATOM 426 C VAL A 28 5.913 -14.483 80.158 1.00 0.00 C ATOM 427 O VAL A 28 7.071 -14.139 80.020 1.00 0.00 O ATOM 428 CB VAL A 28 6.767 -16.337 81.623 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.324 -17.486 82.528 1.00 0.00 C ATOM 430 CG2 VAL A 28 7.673 -16.897 80.521 1.00 0.00 C ATOM 0 H VAL A 28 5.443 -17.400 79.739 1.00 0.00 H new ATOM 0 HA VAL A 28 4.862 -15.343 81.799 1.00 0.00 H new ATOM 0 HB VAL A 28 7.318 -15.588 82.192 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.200 -17.956 82.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.678 -17.100 83.316 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.777 -18.223 81.939 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.555 -17.353 80.972 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.128 -17.648 79.949 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.981 -16.089 79.858 1.00 0.00 H new ATOM 440 N ASN A 29 4.939 -13.827 79.603 1.00 0.00 N ATOM 441 CA ASN A 29 5.197 -12.631 78.771 1.00 0.00 C ATOM 442 C ASN A 29 3.842 -12.059 78.358 1.00 0.00 C ATOM 443 O ASN A 29 3.646 -11.622 77.241 1.00 0.00 O ATOM 444 CB ASN A 29 6.005 -13.018 77.531 1.00 0.00 C ATOM 445 CG ASN A 29 5.575 -14.399 77.043 1.00 0.00 C ATOM 446 OD1 ASN A 29 6.091 -15.460 77.594 1.00 0.00 O flip ATOM 447 ND2 ASN A 29 4.765 -14.515 76.144 1.00 0.00 N flip ATOM 0 H ASN A 29 3.954 -14.077 79.694 1.00 0.00 H new ATOM 0 HA ASN A 29 5.771 -11.891 79.329 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.854 -12.281 76.743 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.069 -13.020 77.766 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.360 -13.684 75.712 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.490 -15.443 75.822 1.00 0.00 H new ATOM 454 N ARG A 30 2.902 -12.082 79.266 1.00 0.00 N ATOM 455 CA ARG A 30 1.539 -11.565 78.967 1.00 0.00 C ATOM 456 C ARG A 30 1.342 -10.212 79.651 1.00 0.00 C ATOM 457 O ARG A 30 1.394 -10.098 80.859 1.00 0.00 O ATOM 458 CB ARG A 30 0.502 -12.556 79.498 1.00 0.00 C ATOM 459 CG ARG A 30 0.603 -13.873 78.721 1.00 0.00 C ATOM 460 CD ARG A 30 -0.648 -14.715 78.977 1.00 0.00 C ATOM 461 NE ARG A 30 -0.649 -15.904 78.064 1.00 0.00 N ATOM 462 CZ ARG A 30 -0.608 -15.766 76.768 1.00 0.00 C ATOM 463 NH1 ARG A 30 -0.703 -14.583 76.227 1.00 0.00 N ATOM 464 NH2 ARG A 30 -0.509 -16.821 76.008 1.00 0.00 N ATOM 0 H ARG A 30 3.025 -12.442 80.213 1.00 0.00 H new ATOM 0 HA ARG A 30 1.421 -11.446 77.890 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.667 -12.736 80.560 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.500 -12.138 79.397 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.706 -13.671 77.655 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.493 -14.422 79.029 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.672 -15.042 80.017 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.543 -14.115 78.811 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.682 -16.841 78.465 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.810 -13.759 76.818 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.670 -14.482 75.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.464 -17.750 76.428 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.477 -16.718 74.994 1.00 0.00 H new ATOM 478 N THR A 31 1.114 -9.188 78.881 1.00 0.00 N ATOM 479 CA THR A 31 0.909 -7.836 79.464 1.00 0.00 C ATOM 480 C THR A 31 -0.295 -7.845 80.410 1.00 0.00 C ATOM 481 O THR A 31 -1.393 -7.512 80.013 1.00 0.00 O ATOM 482 CB THR A 31 0.633 -6.841 78.334 1.00 0.00 C ATOM 483 OG1 THR A 31 -0.468 -7.302 77.563 1.00 0.00 O ATOM 484 CG2 THR A 31 1.863 -6.711 77.434 1.00 0.00 C ATOM 0 H THR A 31 1.060 -9.230 77.863 1.00 0.00 H new ATOM 0 HA THR A 31 1.803 -7.550 80.017 1.00 0.00 H new ATOM 0 HB THR A 31 0.403 -5.866 78.764 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.237 -7.458 78.151 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.655 -6.001 76.634 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.709 -6.357 78.023 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.103 -7.683 77.003 1.00 0.00 H new ATOM 492 N LEU A 32 -0.120 -8.207 81.656 1.00 0.00 N ATOM 493 CA LEU A 32 -1.303 -8.196 82.562 1.00 0.00 C ATOM 494 C LEU A 32 -1.922 -6.798 82.511 1.00 0.00 C ATOM 495 O LEU A 32 -3.121 -6.632 82.625 1.00 0.00 O ATOM 496 CB LEU A 32 -0.953 -8.609 84.018 1.00 0.00 C ATOM 497 CG LEU A 32 0.276 -7.876 84.606 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.533 -8.146 83.773 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.021 -6.364 84.697 1.00 0.00 C ATOM 0 H LEU A 32 0.763 -8.501 82.074 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.019 -8.942 82.217 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.816 -8.417 84.656 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.769 -9.683 84.045 1.00 0.00 H new ATOM 0 HG LEU A 32 0.439 -8.265 85.611 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.380 -7.618 84.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.739 -9.216 83.762 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.375 -7.796 82.753 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.900 -5.871 85.113 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.179 -5.968 83.701 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.839 -6.178 85.341 1.00 0.00 H new ATOM 511 N GLU A 33 -1.113 -5.793 82.299 1.00 0.00 N ATOM 512 CA GLU A 33 -1.647 -4.405 82.191 1.00 0.00 C ATOM 513 C GLU A 33 -2.088 -4.155 80.744 1.00 0.00 C ATOM 514 O GLU A 33 -3.260 -4.026 80.454 1.00 0.00 O ATOM 515 CB GLU A 33 -0.560 -3.398 82.581 1.00 0.00 C ATOM 516 CG GLU A 33 -1.079 -1.976 82.354 1.00 0.00 C ATOM 517 CD GLU A 33 -0.091 -0.971 82.948 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.033 -0.942 84.161 1.00 0.00 O ATOM 519 OE2 GLU A 33 0.523 -0.249 82.181 1.00 0.00 O ATOM 0 H GLU A 33 -0.102 -5.875 82.196 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.497 -4.285 82.863 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.282 -3.533 83.626 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.338 -3.568 81.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.206 -1.790 81.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.058 -1.857 82.818 1.00 0.00 H new ATOM 526 N GLY A 34 -1.150 -4.092 79.830 1.00 0.00 N ATOM 527 CA GLY A 34 -1.506 -3.857 78.396 1.00 0.00 C ATOM 528 C GLY A 34 -0.227 -3.684 77.569 1.00 0.00 C ATOM 529 O GLY A 34 -0.244 -3.746 76.355 1.00 0.00 O ATOM 0 H GLY A 34 -0.152 -4.193 80.016 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.088 -4.696 78.013 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.131 -2.969 78.307 1.00 0.00 H new ATOM 533 N GLY A 35 0.880 -3.470 78.223 1.00 0.00 N ATOM 534 CA GLY A 35 2.169 -3.295 77.495 1.00 0.00 C ATOM 535 C GLY A 35 3.322 -3.564 78.464 1.00 0.00 C ATOM 536 O GLY A 35 4.436 -3.115 78.267 1.00 0.00 O ATOM 0 H GLY A 35 0.948 -3.408 79.239 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.220 -3.979 76.648 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.241 -2.284 77.093 1.00 0.00 H new ATOM 540 N ARG A 36 3.051 -4.286 79.518 1.00 0.00 N ATOM 541 CA ARG A 36 4.106 -4.589 80.530 1.00 0.00 C ATOM 542 C ARG A 36 4.385 -6.098 80.543 1.00 0.00 C ATOM 543 O ARG A 36 3.928 -6.828 79.687 1.00 0.00 O ATOM 544 CB ARG A 36 3.606 -4.146 81.912 1.00 0.00 C ATOM 545 CG ARG A 36 2.988 -2.740 81.819 1.00 0.00 C ATOM 546 CD ARG A 36 4.095 -1.684 81.788 1.00 0.00 C ATOM 547 NE ARG A 36 3.498 -0.327 81.949 1.00 0.00 N ATOM 548 CZ ARG A 36 4.258 0.684 82.274 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.533 0.502 82.480 1.00 0.00 N ATOM 550 NH2 ARG A 36 3.741 1.875 82.400 1.00 0.00 N ATOM 0 H ARG A 36 2.134 -4.683 79.724 1.00 0.00 H new ATOM 0 HA ARG A 36 5.025 -4.058 80.281 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.866 -4.854 82.285 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.432 -4.144 82.624 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.374 -2.662 80.922 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.331 -2.565 82.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.814 -1.873 82.585 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.641 -1.743 80.846 1.00 0.00 H new ATOM 0 HE ARG A 36 2.498 -0.189 81.806 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.937 -0.430 82.387 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.126 1.292 82.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.743 2.017 82.245 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.335 2.664 82.654 1.00 0.00 H new ATOM 564 N LYS A 37 5.131 -6.567 81.513 1.00 0.00 N ATOM 565 CA LYS A 37 5.441 -8.029 81.597 1.00 0.00 C ATOM 566 C LYS A 37 5.297 -8.483 83.071 1.00 0.00 C ATOM 567 O LYS A 37 5.290 -7.657 83.962 1.00 0.00 O ATOM 568 CB LYS A 37 6.861 -8.280 81.047 1.00 0.00 C ATOM 569 CG LYS A 37 7.916 -8.232 82.162 1.00 0.00 C ATOM 570 CD LYS A 37 7.932 -6.843 82.820 1.00 0.00 C ATOM 571 CE LYS A 37 8.570 -5.812 81.882 1.00 0.00 C ATOM 572 NZ LYS A 37 9.819 -6.371 81.295 1.00 0.00 N ATOM 0 H LYS A 37 5.541 -5.998 82.254 1.00 0.00 H new ATOM 0 HA LYS A 37 4.746 -8.613 80.993 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.895 -9.252 80.555 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.096 -7.532 80.290 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.699 -8.994 82.910 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.900 -8.459 81.751 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.915 -6.539 83.066 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.488 -6.884 83.757 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.871 -5.547 81.089 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.793 -4.896 82.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.302 -5.635 80.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.446 -6.697 82.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.583 -7.172 80.675 1.00 0.00 H new ATOM 586 N PRO A 38 5.139 -9.771 83.294 1.00 0.00 N ATOM 587 CA PRO A 38 4.952 -10.313 84.660 1.00 0.00 C ATOM 588 C PRO A 38 6.275 -10.332 85.447 1.00 0.00 C ATOM 589 O PRO A 38 6.480 -11.181 86.287 1.00 0.00 O ATOM 590 CB PRO A 38 4.451 -11.749 84.430 1.00 0.00 C ATOM 591 CG PRO A 38 4.692 -12.088 82.936 1.00 0.00 C ATOM 592 CD PRO A 38 5.122 -10.789 82.227 1.00 0.00 C ATOM 0 HA PRO A 38 4.262 -9.706 85.246 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.983 -12.449 85.074 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.392 -11.831 84.677 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.463 -12.852 82.836 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.785 -12.489 82.483 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.104 -10.896 81.765 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.424 -10.520 81.434 1.00 0.00 H new ATOM 600 N LEU A 39 7.174 -9.422 85.184 1.00 0.00 N ATOM 601 CA LEU A 39 8.474 -9.430 85.926 1.00 0.00 C ATOM 602 C LEU A 39 8.693 -8.070 86.604 1.00 0.00 C ATOM 603 O LEU A 39 9.434 -7.954 87.562 1.00 0.00 O ATOM 604 CB LEU A 39 9.601 -9.704 84.916 1.00 0.00 C ATOM 605 CG LEU A 39 10.926 -10.139 85.592 1.00 0.00 C ATOM 606 CD1 LEU A 39 10.713 -10.718 86.996 1.00 0.00 C ATOM 607 CD2 LEU A 39 11.606 -11.200 84.720 1.00 0.00 C ATOM 0 H LEU A 39 7.069 -8.678 84.494 1.00 0.00 H new ATOM 0 HA LEU A 39 8.466 -10.202 86.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.280 -10.482 84.224 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.779 -8.805 84.325 1.00 0.00 H new ATOM 0 HG LEU A 39 11.547 -9.249 85.693 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.675 -11.006 87.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.245 -9.967 87.632 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.067 -11.594 86.934 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.540 -11.512 85.188 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.947 -12.062 84.615 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.816 -10.782 83.736 1.00 0.00 H new ATOM 619 N HIS A 40 8.055 -7.039 86.123 1.00 0.00 N ATOM 620 CA HIS A 40 8.240 -5.697 86.749 1.00 0.00 C ATOM 621 C HIS A 40 7.507 -5.655 88.091 1.00 0.00 C ATOM 622 O HIS A 40 8.044 -5.209 89.087 1.00 0.00 O ATOM 623 CB HIS A 40 7.673 -4.617 85.824 1.00 0.00 C ATOM 624 CG HIS A 40 7.806 -3.271 86.482 1.00 0.00 C ATOM 625 ND1 HIS A 40 8.903 -2.450 86.271 1.00 0.00 N ATOM 626 CD2 HIS A 40 6.987 -2.586 87.344 1.00 0.00 C ATOM 627 CE1 HIS A 40 8.717 -1.330 86.993 1.00 0.00 C ATOM 628 NE2 HIS A 40 7.563 -1.361 87.667 1.00 0.00 N ATOM 0 H HIS A 40 7.417 -7.066 85.328 1.00 0.00 H new ATOM 0 HA HIS A 40 9.303 -5.515 86.909 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.205 -4.622 84.873 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.626 -4.824 85.605 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.038 -2.944 87.716 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.415 -0.506 87.024 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.186 -0.642 88.285 1.00 0.00 H new ATOM 636 N TYR A 41 6.293 -6.131 88.138 1.00 0.00 N ATOM 637 CA TYR A 41 5.547 -6.130 89.427 1.00 0.00 C ATOM 638 C TYR A 41 6.202 -7.146 90.353 1.00 0.00 C ATOM 639 O TYR A 41 6.340 -6.932 91.540 1.00 0.00 O ATOM 640 CB TYR A 41 4.093 -6.528 89.180 1.00 0.00 C ATOM 641 CG TYR A 41 3.604 -5.834 87.942 1.00 0.00 C ATOM 642 CD1 TYR A 41 3.879 -6.371 86.680 1.00 0.00 C ATOM 643 CD2 TYR A 41 2.883 -4.644 88.056 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.429 -5.716 85.529 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.433 -3.989 86.909 1.00 0.00 C ATOM 646 CZ TYR A 41 2.706 -4.523 85.644 1.00 0.00 C ATOM 647 OH TYR A 41 2.264 -3.873 84.511 1.00 0.00 O ATOM 0 H TYR A 41 5.787 -6.519 87.342 1.00 0.00 H new ATOM 0 HA TYR A 41 5.569 -5.137 89.875 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.012 -7.609 89.063 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.476 -6.253 90.035 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.438 -7.291 86.594 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.674 -4.231 89.032 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.639 -6.130 84.554 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.874 -3.069 86.997 1.00 0.00 H new ATOM 0 HH TYR A 41 1.778 -3.062 84.768 1.00 0.00 H new ATOM 657 N ALA A 42 6.630 -8.246 89.802 1.00 0.00 N ATOM 658 CA ALA A 42 7.302 -9.278 90.628 1.00 0.00 C ATOM 659 C ALA A 42 8.620 -8.698 91.113 1.00 0.00 C ATOM 660 O ALA A 42 8.889 -8.620 92.292 1.00 0.00 O ATOM 661 CB ALA A 42 7.581 -10.517 89.771 1.00 0.00 C ATOM 0 H ALA A 42 6.542 -8.473 88.812 1.00 0.00 H new ATOM 0 HA ALA A 42 6.672 -9.562 91.471 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.075 -11.276 90.378 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.641 -10.914 89.388 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.226 -10.244 88.936 1.00 0.00 H new ATOM 667 N ALA A 43 9.442 -8.278 90.204 1.00 0.00 N ATOM 668 CA ALA A 43 10.740 -7.692 90.606 1.00 0.00 C ATOM 669 C ALA A 43 10.472 -6.542 91.578 1.00 0.00 C ATOM 670 O ALA A 43 10.913 -6.551 92.711 1.00 0.00 O ATOM 671 CB ALA A 43 11.452 -7.154 89.360 1.00 0.00 C ATOM 0 H ALA A 43 9.272 -8.315 89.199 1.00 0.00 H new ATOM 0 HA ALA A 43 11.366 -8.445 91.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.410 -6.720 89.647 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.619 -7.969 88.656 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.834 -6.389 88.889 1.00 0.00 H new ATOM 677 N ASP A 44 9.748 -5.555 91.132 1.00 0.00 N ATOM 678 CA ASP A 44 9.437 -4.379 91.992 1.00 0.00 C ATOM 679 C ASP A 44 8.837 -4.806 93.339 1.00 0.00 C ATOM 680 O ASP A 44 9.140 -4.230 94.364 1.00 0.00 O ATOM 681 CB ASP A 44 8.436 -3.483 91.265 1.00 0.00 C ATOM 682 CG ASP A 44 8.249 -2.184 92.051 1.00 0.00 C ATOM 683 OD1 ASP A 44 7.994 -2.267 93.241 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.366 -1.129 91.450 1.00 0.00 O ATOM 0 H ASP A 44 9.352 -5.512 90.193 1.00 0.00 H new ATOM 0 HA ASP A 44 10.367 -3.845 92.187 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.792 -3.263 90.259 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.481 -3.998 91.160 1.00 0.00 H new ATOM 689 N CYS A 45 7.983 -5.792 93.352 1.00 0.00 N ATOM 690 CA CYS A 45 7.359 -6.221 94.641 1.00 0.00 C ATOM 691 C CYS A 45 6.813 -7.635 94.491 1.00 0.00 C ATOM 692 O CYS A 45 5.617 -7.855 94.510 1.00 0.00 O ATOM 693 CB CYS A 45 6.189 -5.294 94.971 1.00 0.00 C ATOM 694 SG CYS A 45 6.792 -3.622 95.311 1.00 0.00 S ATOM 0 H CYS A 45 7.689 -6.319 92.530 1.00 0.00 H new ATOM 0 HA CYS A 45 8.109 -6.184 95.431 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.487 -5.273 94.138 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.646 -5.675 95.836 1.00 0.00 H new ATOM 0 HG CYS A 45 7.846 -3.385 94.588 1.00 0.00 H new ATOM 700 N GLY A 46 7.680 -8.591 94.325 1.00 0.00 N ATOM 701 CA GLY A 46 7.221 -10.000 94.153 1.00 0.00 C ATOM 702 C GLY A 46 7.647 -10.849 95.346 1.00 0.00 C ATOM 703 O GLY A 46 7.864 -12.038 95.219 1.00 0.00 O ATOM 0 H GLY A 46 8.691 -8.460 94.301 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.136 -10.025 94.050 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.638 -10.415 93.236 1.00 0.00 H new ATOM 707 N GLN A 47 7.790 -10.269 96.501 1.00 0.00 N ATOM 708 CA GLN A 47 8.225 -11.090 97.662 1.00 0.00 C ATOM 709 C GLN A 47 9.532 -11.784 97.265 1.00 0.00 C ATOM 710 O GLN A 47 10.042 -12.642 97.955 1.00 0.00 O ATOM 711 CB GLN A 47 7.139 -12.125 97.984 1.00 0.00 C ATOM 712 CG GLN A 47 6.999 -12.294 99.503 1.00 0.00 C ATOM 713 CD GLN A 47 6.071 -11.211 100.070 1.00 0.00 C ATOM 714 OE1 GLN A 47 4.986 -10.881 99.417 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 6.331 -10.664 101.123 1.00 0.00 N flip ATOM 0 H GLN A 47 7.628 -9.280 96.691 1.00 0.00 H new ATOM 0 HA GLN A 47 8.382 -10.476 98.548 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.187 -11.809 97.557 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.391 -13.082 97.526 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.600 -13.282 99.732 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.979 -12.229 99.976 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.176 -10.918 101.635 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.705 -9.950 101.495 1.00 0.00 H new ATOM 724 N LEU A 48 10.067 -11.377 96.145 1.00 0.00 N ATOM 725 CA LEU A 48 11.350 -11.929 95.623 1.00 0.00 C ATOM 726 C LEU A 48 11.208 -13.395 95.225 1.00 0.00 C ATOM 727 O LEU A 48 12.114 -13.989 94.678 1.00 0.00 O ATOM 728 CB LEU A 48 12.447 -11.765 96.667 1.00 0.00 C ATOM 729 CG LEU A 48 12.922 -10.292 96.747 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.172 -9.375 95.763 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.715 -9.756 98.169 1.00 0.00 C ATOM 0 H LEU A 48 9.652 -10.659 95.551 1.00 0.00 H new ATOM 0 HA LEU A 48 11.620 -11.370 94.727 1.00 0.00 H new ATOM 0 HB2 LEU A 48 12.078 -12.085 97.641 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.290 -12.410 96.418 1.00 0.00 H new ATOM 0 HG LEU A 48 13.978 -10.286 96.478 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.544 -8.355 95.861 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.335 -9.725 94.744 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.106 -9.396 95.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.051 -8.720 98.220 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.657 -9.808 98.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.290 -10.359 98.872 1.00 0.00 H new ATOM 743 N GLU A 49 10.088 -13.985 95.471 1.00 0.00 N ATOM 744 CA GLU A 49 9.895 -15.395 95.069 1.00 0.00 C ATOM 745 C GLU A 49 9.219 -15.428 93.699 1.00 0.00 C ATOM 746 O GLU A 49 9.457 -16.297 92.884 1.00 0.00 O ATOM 747 CB GLU A 49 9.001 -16.090 96.082 1.00 0.00 C ATOM 748 CG GLU A 49 9.529 -15.852 97.499 1.00 0.00 C ATOM 749 CD GLU A 49 8.761 -16.735 98.485 1.00 0.00 C ATOM 750 OE1 GLU A 49 8.061 -17.626 98.031 1.00 0.00 O ATOM 751 OE2 GLU A 49 8.883 -16.504 99.677 1.00 0.00 O ATOM 0 H GLU A 49 9.290 -13.552 95.936 1.00 0.00 H new ATOM 0 HA GLU A 49 10.858 -15.903 95.024 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.981 -15.714 95.997 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.965 -17.159 95.874 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.594 -16.079 97.545 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.415 -14.802 97.769 1.00 0.00 H new ATOM 758 N ILE A 50 8.354 -14.488 93.462 1.00 0.00 N ATOM 759 CA ILE A 50 7.611 -14.439 92.178 1.00 0.00 C ATOM 760 C ILE A 50 8.546 -14.191 90.998 1.00 0.00 C ATOM 761 O ILE A 50 8.481 -14.872 89.996 1.00 0.00 O ATOM 762 CB ILE A 50 6.597 -13.299 92.264 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.733 -13.488 93.540 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.741 -13.264 90.987 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.238 -13.591 93.210 1.00 0.00 C ATOM 0 H ILE A 50 8.127 -13.738 94.115 1.00 0.00 H new ATOM 0 HA ILE A 50 7.118 -15.398 92.016 1.00 0.00 H new ATOM 0 HB ILE A 50 7.108 -12.339 92.338 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.052 -14.389 94.064 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.898 -12.650 94.217 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.020 -12.449 91.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.385 -13.108 90.121 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.210 -14.210 90.879 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.670 -13.723 94.131 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.912 -12.679 92.710 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.068 -14.445 92.554 1.00 0.00 H new ATOM 777 N LEU A 51 9.386 -13.205 91.079 1.00 0.00 N ATOM 778 CA LEU A 51 10.265 -12.915 89.921 1.00 0.00 C ATOM 779 C LEU A 51 10.928 -14.206 89.425 1.00 0.00 C ATOM 780 O LEU A 51 10.874 -14.514 88.255 1.00 0.00 O ATOM 781 CB LEU A 51 11.344 -11.850 90.224 1.00 0.00 C ATOM 782 CG LEU A 51 11.582 -11.591 91.721 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.310 -11.122 92.441 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.140 -12.850 92.372 1.00 0.00 C ATOM 0 H LEU A 51 9.502 -12.593 91.887 1.00 0.00 H new ATOM 0 HA LEU A 51 9.625 -12.500 89.142 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.283 -12.163 89.769 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.056 -10.913 89.748 1.00 0.00 H new ATOM 0 HG LEU A 51 12.306 -10.782 91.811 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.530 -10.953 93.495 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.958 -10.194 91.990 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.538 -11.886 92.350 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.309 -12.667 93.433 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.428 -13.667 92.254 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.083 -13.119 91.896 1.00 0.00 H new ATOM 796 N GLU A 52 11.559 -14.957 90.287 1.00 0.00 N ATOM 797 CA GLU A 52 12.226 -16.215 89.825 1.00 0.00 C ATOM 798 C GLU A 52 11.221 -17.146 89.126 1.00 0.00 C ATOM 799 O GLU A 52 11.570 -17.867 88.217 1.00 0.00 O ATOM 800 CB GLU A 52 12.822 -16.984 91.016 1.00 0.00 C ATOM 801 CG GLU A 52 13.505 -16.043 92.010 1.00 0.00 C ATOM 802 CD GLU A 52 14.090 -16.876 93.154 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.430 -18.022 92.911 1.00 0.00 O ATOM 804 OE2 GLU A 52 14.180 -16.356 94.254 1.00 0.00 O ATOM 0 H GLU A 52 11.643 -14.759 91.284 1.00 0.00 H new ATOM 0 HA GLU A 52 13.013 -15.922 89.130 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.033 -17.539 91.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.543 -17.716 90.653 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.293 -15.477 91.514 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.789 -15.319 92.398 1.00 0.00 H new ATOM 811 N PHE A 53 9.996 -17.173 89.580 1.00 0.00 N ATOM 812 CA PHE A 53 8.976 -18.101 88.997 1.00 0.00 C ATOM 813 C PHE A 53 8.773 -17.883 87.499 1.00 0.00 C ATOM 814 O PHE A 53 9.277 -18.622 86.687 1.00 0.00 O ATOM 815 CB PHE A 53 7.646 -17.881 89.712 1.00 0.00 C ATOM 816 CG PHE A 53 6.556 -18.667 89.025 1.00 0.00 C ATOM 817 CD1 PHE A 53 6.621 -20.065 88.979 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.477 -17.997 88.439 1.00 0.00 C ATOM 819 CE1 PHE A 53 5.605 -20.790 88.347 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.464 -18.722 87.806 1.00 0.00 C ATOM 821 CZ PHE A 53 4.527 -20.117 87.761 1.00 0.00 C ATOM 0 H PHE A 53 9.652 -16.585 90.339 1.00 0.00 H new ATOM 0 HA PHE A 53 9.339 -19.119 89.135 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.728 -18.191 90.754 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.395 -16.820 89.714 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.454 -20.583 89.431 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.427 -16.919 88.476 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.653 -21.868 88.311 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.632 -18.204 87.352 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.743 -20.677 87.273 1.00 0.00 H new ATOM 831 N LEU A 54 7.992 -16.920 87.122 1.00 0.00 N ATOM 832 CA LEU A 54 7.736 -16.724 85.673 1.00 0.00 C ATOM 833 C LEU A 54 9.060 -16.626 84.902 1.00 0.00 C ATOM 834 O LEU A 54 9.078 -16.582 83.687 1.00 0.00 O ATOM 835 CB LEU A 54 6.852 -15.481 85.446 1.00 0.00 C ATOM 836 CG LEU A 54 7.535 -14.159 85.857 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.437 -14.345 87.072 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.351 -13.592 84.690 1.00 0.00 C ATOM 0 H LEU A 54 7.522 -16.264 87.746 1.00 0.00 H new ATOM 0 HA LEU A 54 7.195 -17.589 85.290 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.577 -15.427 84.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.927 -15.594 86.011 1.00 0.00 H new ATOM 0 HG LEU A 54 6.747 -13.455 86.124 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.900 -13.393 87.331 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.844 -14.701 87.914 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.213 -15.075 86.841 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.826 -12.660 84.997 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.117 -14.311 84.399 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.691 -13.401 83.843 1.00 0.00 H new ATOM 850 N LEU A 55 10.169 -16.621 85.594 1.00 0.00 N ATOM 851 CA LEU A 55 11.488 -16.552 84.898 1.00 0.00 C ATOM 852 C LEU A 55 11.951 -17.978 84.567 1.00 0.00 C ATOM 853 O LEU A 55 12.615 -18.217 83.577 1.00 0.00 O ATOM 854 CB LEU A 55 12.510 -15.869 85.822 1.00 0.00 C ATOM 855 CG LEU A 55 13.453 -14.972 85.013 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.223 -14.064 85.971 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.443 -15.837 84.234 1.00 0.00 C ATOM 0 H LEU A 55 10.218 -16.662 86.612 1.00 0.00 H new ATOM 0 HA LEU A 55 11.398 -15.977 83.976 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.989 -15.275 86.573 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.087 -16.624 86.356 1.00 0.00 H new ATOM 0 HG LEU A 55 12.872 -14.369 84.315 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.896 -13.423 85.402 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.520 -13.447 86.531 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.802 -14.674 86.664 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.112 -15.196 83.660 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.026 -16.439 84.930 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.898 -16.493 83.555 1.00 0.00 H new ATOM 869 N LEU A 56 11.594 -18.928 85.392 1.00 0.00 N ATOM 870 CA LEU A 56 11.998 -20.343 85.140 1.00 0.00 C ATOM 871 C LEU A 56 11.535 -20.759 83.754 1.00 0.00 C ATOM 872 O LEU A 56 12.300 -21.252 82.947 1.00 0.00 O ATOM 873 CB LEU A 56 11.337 -21.285 86.160 1.00 0.00 C ATOM 874 CG LEU A 56 11.493 -20.744 87.578 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.000 -21.798 88.571 1.00 0.00 C ATOM 876 CD2 LEU A 56 12.964 -20.428 87.859 1.00 0.00 C ATOM 0 H LEU A 56 11.037 -18.783 86.234 1.00 0.00 H new ATOM 0 HA LEU A 56 13.083 -20.409 85.226 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.279 -21.399 85.924 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.787 -22.275 86.092 1.00 0.00 H new ATOM 0 HG LEU A 56 10.908 -19.831 87.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.108 -21.419 89.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.951 -22.019 88.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.590 -22.708 88.458 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.066 -20.042 88.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.558 -21.336 87.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.317 -19.680 87.149 1.00 0.00 H new ATOM 888 N LYS A 57 10.281 -20.576 83.480 1.00 0.00 N ATOM 889 CA LYS A 57 9.750 -20.979 82.154 1.00 0.00 C ATOM 890 C LYS A 57 10.462 -20.151 81.081 1.00 0.00 C ATOM 891 O LYS A 57 11.578 -20.450 80.705 1.00 0.00 O ATOM 892 CB LYS A 57 8.225 -20.743 82.123 1.00 0.00 C ATOM 893 CG LYS A 57 7.476 -22.090 82.127 1.00 0.00 C ATOM 894 CD LYS A 57 7.378 -22.640 83.559 1.00 0.00 C ATOM 895 CE LYS A 57 8.675 -23.363 83.937 1.00 0.00 C ATOM 896 NZ LYS A 57 8.450 -24.182 85.161 1.00 0.00 N ATOM 0 H LYS A 57 9.598 -20.164 84.116 1.00 0.00 H new ATOM 0 HA LYS A 57 9.931 -22.037 81.965 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.924 -20.149 82.986 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.956 -20.172 81.234 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.477 -21.960 81.711 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.996 -22.805 81.490 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.190 -21.825 84.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.535 -23.326 83.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.001 -24.000 83.115 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.470 -22.638 84.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.331 -24.673 85.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.158 -23.563 85.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.704 -24.883 84.977 1.00 0.00 H new ATOM 910 N GLY A 58 9.857 -19.103 80.603 1.00 0.00 N ATOM 911 CA GLY A 58 10.540 -18.265 79.589 1.00 0.00 C ATOM 912 C GLY A 58 11.506 -17.345 80.329 1.00 0.00 C ATOM 913 O GLY A 58 12.124 -17.748 81.293 1.00 0.00 O ATOM 0 H GLY A 58 8.923 -18.793 80.870 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.077 -18.889 78.874 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.814 -17.682 79.022 1.00 0.00 H new ATOM 917 N ALA A 59 11.628 -16.111 79.921 1.00 0.00 N ATOM 918 CA ALA A 59 12.553 -15.194 80.648 1.00 0.00 C ATOM 919 C ALA A 59 12.526 -13.787 80.054 1.00 0.00 C ATOM 920 O ALA A 59 13.340 -13.433 79.222 1.00 0.00 O ATOM 921 CB ALA A 59 13.988 -15.732 80.593 1.00 0.00 C ATOM 0 H ALA A 59 11.135 -15.702 79.127 1.00 0.00 H new ATOM 0 HA ALA A 59 12.215 -15.144 81.683 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.652 -15.053 81.128 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.025 -16.717 81.058 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.308 -15.809 79.554 1.00 0.00 H new ATOM 927 N ASP A 60 11.631 -12.966 80.527 1.00 0.00 N ATOM 928 CA ASP A 60 11.586 -11.560 80.055 1.00 0.00 C ATOM 929 C ASP A 60 12.798 -10.876 80.675 1.00 0.00 C ATOM 930 O ASP A 60 13.016 -9.688 80.547 1.00 0.00 O ATOM 931 CB ASP A 60 10.291 -10.898 80.541 1.00 0.00 C ATOM 932 CG ASP A 60 9.991 -9.654 79.702 1.00 0.00 C ATOM 933 OD1 ASP A 60 10.520 -8.603 80.026 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.233 -9.772 78.754 1.00 0.00 O ATOM 0 H ASP A 60 10.927 -13.212 81.223 1.00 0.00 H new ATOM 0 HA ASP A 60 11.605 -11.490 78.967 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.463 -11.603 80.469 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.385 -10.624 81.592 1.00 0.00 H new ATOM 939 N ILE A 61 13.584 -11.662 81.357 1.00 0.00 N ATOM 940 CA ILE A 61 14.808 -11.157 82.029 1.00 0.00 C ATOM 941 C ILE A 61 15.679 -10.390 81.038 1.00 0.00 C ATOM 942 O ILE A 61 16.456 -9.534 81.412 1.00 0.00 O ATOM 943 CB ILE A 61 15.587 -12.364 82.556 1.00 0.00 C ATOM 944 CG1 ILE A 61 16.744 -11.894 83.439 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.145 -13.168 81.376 1.00 0.00 C ATOM 946 CD1 ILE A 61 17.684 -13.073 83.743 1.00 0.00 C ATOM 0 H ILE A 61 13.421 -12.662 81.478 1.00 0.00 H new ATOM 0 HA ILE A 61 14.534 -10.485 82.842 1.00 0.00 H new ATOM 0 HB ILE A 61 14.917 -12.991 83.144 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.295 -11.098 82.938 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.357 -11.477 84.369 1.00 0.00 H new ATOM 0 HG21 ILE A 61 16.700 -14.028 81.752 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.323 -13.513 80.749 1.00 0.00 H new ATOM 0 HG23 ILE A 61 16.810 -12.536 80.787 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.505 -12.730 84.372 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.130 -13.855 84.263 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.083 -13.470 82.810 1.00 0.00 H new ATOM 958 N ASN A 62 15.564 -10.705 79.781 1.00 0.00 N ATOM 959 CA ASN A 62 16.399 -10.020 78.754 1.00 0.00 C ATOM 960 C ASN A 62 15.552 -9.711 77.513 1.00 0.00 C ATOM 961 O ASN A 62 15.630 -8.640 76.942 1.00 0.00 O ATOM 962 CB ASN A 62 17.557 -10.939 78.359 1.00 0.00 C ATOM 963 CG ASN A 62 16.999 -12.245 77.787 1.00 0.00 C ATOM 964 OD1 ASN A 62 15.962 -12.801 78.355 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 17.508 -12.762 76.813 1.00 0.00 N flip ATOM 0 H ASN A 62 14.925 -11.411 79.417 1.00 0.00 H new ATOM 0 HA ASN A 62 16.785 -9.087 79.165 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.190 -10.447 77.621 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.182 -11.147 79.227 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.318 -12.328 76.370 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.126 -13.630 76.438 1.00 0.00 H new ATOM 972 N ALA A 63 14.738 -10.656 77.117 1.00 0.00 N ATOM 973 CA ALA A 63 13.833 -10.503 75.926 1.00 0.00 C ATOM 974 C ALA A 63 13.537 -9.027 75.587 1.00 0.00 C ATOM 975 O ALA A 63 13.713 -8.625 74.451 1.00 0.00 O ATOM 976 CB ALA A 63 12.515 -11.235 76.217 1.00 0.00 C ATOM 0 H ALA A 63 14.658 -11.560 77.583 1.00 0.00 H new ATOM 0 HA ALA A 63 14.341 -10.932 75.062 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.846 -11.134 75.362 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.717 -12.291 76.397 1.00 0.00 H new ATOM 0 HB3 ALA A 63 12.045 -10.801 77.099 1.00 0.00 H new ATOM 982 N PRO A 64 13.091 -8.259 76.560 1.00 0.00 N ATOM 983 CA PRO A 64 12.751 -6.837 76.386 1.00 0.00 C ATOM 984 C PRO A 64 13.324 -6.200 75.113 1.00 0.00 C ATOM 985 O PRO A 64 14.473 -6.368 74.757 1.00 0.00 O ATOM 986 CB PRO A 64 13.294 -6.234 77.683 1.00 0.00 C ATOM 987 CG PRO A 64 13.224 -7.385 78.738 1.00 0.00 C ATOM 988 CD PRO A 64 12.908 -8.682 77.956 1.00 0.00 C ATOM 0 HA PRO A 64 11.686 -6.663 76.235 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.317 -5.881 77.554 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.699 -5.377 77.997 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.168 -7.476 79.275 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.453 -7.183 79.481 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.583 -9.494 78.226 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.894 -9.034 78.145 1.00 0.00 H new ATOM 996 N ASP A 65 12.477 -5.460 74.430 1.00 0.00 N ATOM 997 CA ASP A 65 12.867 -4.772 73.167 1.00 0.00 C ATOM 998 C ASP A 65 12.242 -3.373 73.163 1.00 0.00 C ATOM 999 O ASP A 65 12.886 -2.389 72.855 1.00 0.00 O ATOM 1000 CB ASP A 65 12.314 -5.563 71.978 1.00 0.00 C ATOM 1001 CG ASP A 65 13.173 -6.804 71.730 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.212 -6.668 71.107 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.773 -7.870 72.169 1.00 0.00 O ATOM 0 H ASP A 65 11.508 -5.305 74.709 1.00 0.00 H new ATOM 0 HA ASP A 65 13.952 -4.703 73.095 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.283 -5.858 72.175 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.302 -4.935 71.087 1.00 0.00 H new ATOM 1008 N LYS A 66 10.981 -3.287 73.508 1.00 0.00 N ATOM 1009 CA LYS A 66 10.289 -1.975 73.538 1.00 0.00 C ATOM 1010 C LYS A 66 10.537 -1.312 74.888 1.00 0.00 C ATOM 1011 O LYS A 66 10.482 -0.106 75.027 1.00 0.00 O ATOM 1012 CB LYS A 66 8.797 -2.209 73.347 1.00 0.00 C ATOM 1013 CG LYS A 66 8.126 -0.892 72.987 1.00 0.00 C ATOM 1014 CD LYS A 66 8.156 -0.686 71.470 1.00 0.00 C ATOM 1015 CE LYS A 66 7.669 0.725 71.134 1.00 0.00 C ATOM 1016 NZ LYS A 66 6.284 0.909 71.653 1.00 0.00 N ATOM 0 H LYS A 66 10.401 -4.083 73.772 1.00 0.00 H new ATOM 0 HA LYS A 66 10.665 -1.329 72.745 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.630 -2.943 72.559 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.361 -2.616 74.259 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.095 -0.891 73.342 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.636 -0.067 73.484 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.168 -0.832 71.093 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.524 -1.426 70.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.336 1.466 71.575 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.688 0.881 70.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.853 1.742 71.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.716 0.065 71.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.315 1.048 72.683 1.00 0.00 H new ATOM 1030 N HIS A 67 10.825 -2.101 75.879 1.00 0.00 N ATOM 1031 CA HIS A 67 11.102 -1.553 77.226 1.00 0.00 C ATOM 1032 C HIS A 67 12.551 -1.088 77.256 1.00 0.00 C ATOM 1033 O HIS A 67 13.017 -0.522 78.225 1.00 0.00 O ATOM 1034 CB HIS A 67 10.901 -2.662 78.255 1.00 0.00 C ATOM 1035 CG HIS A 67 9.434 -2.872 78.485 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.753 -2.280 79.537 1.00 0.00 N ATOM 1037 CD2 HIS A 67 8.501 -3.608 77.800 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.467 -2.668 79.455 1.00 0.00 C ATOM 1039 NE2 HIS A 67 7.259 -3.479 78.413 1.00 0.00 N ATOM 0 H HIS A 67 10.881 -3.117 75.810 1.00 0.00 H new ATOM 0 HA HIS A 67 10.436 -0.721 77.453 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.361 -3.586 77.904 1.00 0.00 H new ATOM 0 HB3 HIS A 67 11.392 -2.397 79.191 1.00 0.00 H new ATOM 0 HD2 HIS A 67 8.701 -4.198 76.918 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.697 -2.361 80.147 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.379 -3.910 78.129 1.00 0.00 H new ATOM 1047 N HIS A 68 13.265 -1.330 76.189 1.00 0.00 N ATOM 1048 CA HIS A 68 14.694 -0.918 76.129 1.00 0.00 C ATOM 1049 C HIS A 68 15.359 -1.218 77.467 1.00 0.00 C ATOM 1050 O HIS A 68 16.341 -0.604 77.830 1.00 0.00 O ATOM 1051 CB HIS A 68 14.778 0.586 75.851 1.00 0.00 C ATOM 1052 CG HIS A 68 13.635 0.993 74.965 1.00 0.00 C ATOM 1053 ND1 HIS A 68 13.496 0.514 73.674 1.00 0.00 N ATOM 1054 CD2 HIS A 68 12.571 1.837 75.170 1.00 0.00 C ATOM 1055 CE1 HIS A 68 12.385 1.063 73.154 1.00 0.00 C ATOM 1056 NE2 HIS A 68 11.782 1.879 74.024 1.00 0.00 N ATOM 0 H HIS A 68 12.916 -1.798 75.353 1.00 0.00 H new ATOM 0 HA HIS A 68 15.200 -1.466 75.334 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.743 1.143 76.787 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.727 0.826 75.372 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.376 2.384 76.081 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.024 0.869 72.155 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.927 2.417 73.879 1.00 0.00 H new ATOM 1064 N ILE A 69 14.830 -2.142 78.221 1.00 0.00 N ATOM 1065 CA ILE A 69 15.455 -2.426 79.533 1.00 0.00 C ATOM 1066 C ILE A 69 15.071 -3.805 80.055 1.00 0.00 C ATOM 1067 O ILE A 69 14.021 -4.343 79.750 1.00 0.00 O ATOM 1068 CB ILE A 69 14.994 -1.360 80.532 1.00 0.00 C ATOM 1069 CG1 ILE A 69 16.214 -0.749 81.235 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.040 -1.974 81.574 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.994 -1.831 81.986 1.00 0.00 C ATOM 0 H ILE A 69 14.009 -2.700 77.988 1.00 0.00 H new ATOM 0 HA ILE A 69 16.538 -2.407 79.412 1.00 0.00 H new ATOM 0 HB ILE A 69 14.460 -0.579 79.991 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.861 -0.268 80.502 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.891 0.025 81.931 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.722 -1.203 82.276 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.167 -2.387 81.069 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.555 -2.767 82.116 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.856 -1.382 82.479 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.348 -2.293 82.733 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.334 -2.590 81.281 1.00 0.00 H new ATOM 1083 N THR A 70 15.920 -4.345 80.882 1.00 0.00 N ATOM 1084 CA THR A 70 15.666 -5.665 81.512 1.00 0.00 C ATOM 1085 C THR A 70 15.210 -5.403 82.966 1.00 0.00 C ATOM 1086 O THR A 70 15.413 -4.322 83.478 1.00 0.00 O ATOM 1087 CB THR A 70 16.953 -6.490 81.449 1.00 0.00 C ATOM 1088 OG1 THR A 70 16.990 -7.407 82.530 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.159 -5.545 81.504 1.00 0.00 C ATOM 0 H THR A 70 16.803 -3.912 81.153 1.00 0.00 H new ATOM 0 HA THR A 70 14.888 -6.228 80.997 1.00 0.00 H new ATOM 0 HB THR A 70 16.985 -7.055 80.517 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.265 -8.289 82.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.080 -6.127 81.460 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.122 -4.859 80.658 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.134 -4.977 82.434 1.00 0.00 H new ATOM 1097 N PRO A 71 14.549 -6.354 83.576 1.00 0.00 N ATOM 1098 CA PRO A 71 13.999 -6.166 84.938 1.00 0.00 C ATOM 1099 C PRO A 71 15.065 -6.041 86.052 1.00 0.00 C ATOM 1100 O PRO A 71 14.754 -5.564 87.126 1.00 0.00 O ATOM 1101 CB PRO A 71 13.109 -7.398 85.160 1.00 0.00 C ATOM 1102 CG PRO A 71 13.082 -8.189 83.827 1.00 0.00 C ATOM 1103 CD PRO A 71 14.265 -7.674 82.991 1.00 0.00 C ATOM 0 HA PRO A 71 13.462 -5.219 84.999 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.502 -8.017 85.967 1.00 0.00 H new ATOM 0 HB3 PRO A 71 12.102 -7.098 85.450 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.173 -9.260 84.009 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.139 -8.034 83.302 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.126 -8.338 83.062 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.007 -7.598 81.935 1.00 0.00 H new ATOM 1111 N LEU A 72 16.301 -6.455 85.868 1.00 0.00 N ATOM 1112 CA LEU A 72 17.250 -6.306 87.016 1.00 0.00 C ATOM 1113 C LEU A 72 17.277 -4.847 87.449 1.00 0.00 C ATOM 1114 O LEU A 72 17.313 -4.549 88.624 1.00 0.00 O ATOM 1115 CB LEU A 72 18.700 -6.751 86.696 1.00 0.00 C ATOM 1116 CG LEU A 72 18.804 -7.693 85.485 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.631 -8.687 85.423 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.876 -6.858 84.205 1.00 0.00 C ATOM 0 H LEU A 72 16.678 -6.870 85.016 1.00 0.00 H new ATOM 0 HA LEU A 72 16.884 -6.962 87.806 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.310 -5.867 86.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.119 -7.250 87.570 1.00 0.00 H new ATOM 0 HG LEU A 72 19.712 -8.287 85.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.746 -9.332 84.552 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.622 -9.296 86.327 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.693 -8.138 85.346 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.950 -7.520 83.342 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.977 -6.247 84.118 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.752 -6.211 84.242 1.00 0.00 H new ATOM 1130 N LEU A 73 17.257 -3.933 86.521 1.00 0.00 N ATOM 1131 CA LEU A 73 17.286 -2.498 86.919 1.00 0.00 C ATOM 1132 C LEU A 73 15.949 -2.122 87.546 1.00 0.00 C ATOM 1133 O LEU A 73 15.854 -1.195 88.325 1.00 0.00 O ATOM 1134 CB LEU A 73 17.582 -1.610 85.705 1.00 0.00 C ATOM 1135 CG LEU A 73 18.937 -2.013 85.093 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.757 -3.205 84.143 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.541 -0.819 84.332 1.00 0.00 C ATOM 0 H LEU A 73 17.222 -4.112 85.518 1.00 0.00 H new ATOM 0 HA LEU A 73 18.080 -2.343 87.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.790 -1.714 84.963 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.603 -0.562 86.004 1.00 0.00 H new ATOM 0 HG LEU A 73 19.614 -2.305 85.895 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.722 -3.480 83.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.349 -4.052 84.695 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.071 -2.931 83.341 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.499 -1.109 83.901 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.862 -0.514 83.535 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.690 0.013 85.020 1.00 0.00 H new ATOM 1149 N SER A 74 14.915 -2.844 87.229 1.00 0.00 N ATOM 1150 CA SER A 74 13.595 -2.534 87.832 1.00 0.00 C ATOM 1151 C SER A 74 13.723 -2.624 89.353 1.00 0.00 C ATOM 1152 O SER A 74 13.280 -1.758 90.087 1.00 0.00 O ATOM 1153 CB SER A 74 12.553 -3.537 87.329 1.00 0.00 C ATOM 1154 OG SER A 74 11.265 -3.138 87.772 1.00 0.00 O ATOM 0 H SER A 74 14.927 -3.632 86.581 1.00 0.00 H new ATOM 0 HA SER A 74 13.277 -1.531 87.549 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.576 -3.588 86.240 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.784 -4.536 87.700 1.00 0.00 H new ATOM 0 HG SER A 74 10.679 -3.007 86.998 1.00 0.00 H new ATOM 1160 N ALA A 75 14.341 -3.670 89.828 1.00 0.00 N ATOM 1161 CA ALA A 75 14.519 -3.835 91.301 1.00 0.00 C ATOM 1162 C ALA A 75 15.571 -2.850 91.812 1.00 0.00 C ATOM 1163 O ALA A 75 15.481 -2.347 92.914 1.00 0.00 O ATOM 1164 CB ALA A 75 14.976 -5.264 91.599 1.00 0.00 C ATOM 0 H ALA A 75 14.732 -4.421 89.259 1.00 0.00 H new ATOM 0 HA ALA A 75 13.571 -3.639 91.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.107 -5.387 92.674 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.225 -5.968 91.242 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.923 -5.456 91.094 1.00 0.00 H new ATOM 1170 N VAL A 76 16.573 -2.582 91.025 1.00 0.00 N ATOM 1171 CA VAL A 76 17.643 -1.644 91.462 1.00 0.00 C ATOM 1172 C VAL A 76 17.023 -0.422 92.161 1.00 0.00 C ATOM 1173 O VAL A 76 17.177 -0.240 93.353 1.00 0.00 O ATOM 1174 CB VAL A 76 18.453 -1.219 90.227 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.312 0.014 90.519 1.00 0.00 C ATOM 1176 CG2 VAL A 76 19.367 -2.381 89.814 1.00 0.00 C ATOM 0 H VAL A 76 16.698 -2.975 90.092 1.00 0.00 H new ATOM 0 HA VAL A 76 18.304 -2.134 92.177 1.00 0.00 H new ATOM 0 HB VAL A 76 17.758 -0.967 89.426 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.872 0.288 89.625 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.669 0.844 90.813 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.007 -0.210 91.328 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.948 -2.093 88.938 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.043 -2.622 90.635 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.760 -3.254 89.576 1.00 0.00 H new ATOM 1186 N TYR A 77 16.331 0.419 91.438 1.00 0.00 N ATOM 1187 CA TYR A 77 15.714 1.621 92.080 1.00 0.00 C ATOM 1188 C TYR A 77 14.478 1.192 92.878 1.00 0.00 C ATOM 1189 O TYR A 77 13.438 1.819 92.812 1.00 0.00 O ATOM 1190 CB TYR A 77 15.307 2.634 90.999 1.00 0.00 C ATOM 1191 CG TYR A 77 16.127 2.398 89.758 1.00 0.00 C ATOM 1192 CD1 TYR A 77 17.384 2.995 89.625 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.626 1.582 88.739 1.00 0.00 C ATOM 1194 CE1 TYR A 77 18.144 2.773 88.471 1.00 0.00 C ATOM 1195 CE2 TYR A 77 16.384 1.359 87.585 1.00 0.00 C ATOM 1196 CZ TYR A 77 17.645 1.956 87.450 1.00 0.00 C ATOM 1197 OH TYR A 77 18.394 1.737 86.312 1.00 0.00 O ATOM 0 H TYR A 77 16.166 0.328 90.436 1.00 0.00 H new ATOM 0 HA TYR A 77 16.436 2.086 92.751 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.246 2.533 90.772 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.460 3.651 91.361 1.00 0.00 H new ATOM 0 HD1 TYR A 77 17.768 3.627 90.412 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.654 1.124 88.843 1.00 0.00 H new ATOM 0 HE1 TYR A 77 19.116 3.232 88.368 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.998 0.727 86.799 1.00 0.00 H new ATOM 0 HH TYR A 77 17.807 1.745 85.527 1.00 0.00 H new ATOM 1207 N GLU A 78 14.583 0.126 93.628 1.00 0.00 N ATOM 1208 CA GLU A 78 13.413 -0.348 94.424 1.00 0.00 C ATOM 1209 C GLU A 78 13.824 -0.569 95.878 1.00 0.00 C ATOM 1210 O GLU A 78 13.000 -0.590 96.770 1.00 0.00 O ATOM 1211 CB GLU A 78 12.910 -1.673 93.843 1.00 0.00 C ATOM 1212 CG GLU A 78 11.454 -1.885 94.258 1.00 0.00 C ATOM 1213 CD GLU A 78 10.551 -1.024 93.373 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.841 -0.912 92.193 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.585 -0.487 93.891 1.00 0.00 O ATOM 0 H GLU A 78 15.428 -0.437 93.723 1.00 0.00 H new ATOM 0 HA GLU A 78 12.625 0.404 94.381 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.993 -1.662 92.756 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.526 -2.498 94.201 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.184 -2.937 94.160 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.319 -1.618 95.306 1.00 0.00 H new ATOM 1222 N GLY A 79 15.088 -0.757 96.126 1.00 0.00 N ATOM 1223 CA GLY A 79 15.533 -1.004 97.523 1.00 0.00 C ATOM 1224 C GLY A 79 15.383 -2.493 97.802 1.00 0.00 C ATOM 1225 O GLY A 79 15.778 -2.991 98.838 1.00 0.00 O ATOM 0 H GLY A 79 15.829 -0.750 95.425 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.569 -0.693 97.655 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.934 -0.422 98.223 1.00 0.00 H new ATOM 1229 N HIS A 80 14.825 -3.206 96.864 1.00 0.00 N ATOM 1230 CA HIS A 80 14.654 -4.667 97.039 1.00 0.00 C ATOM 1231 C HIS A 80 15.995 -5.326 96.737 1.00 0.00 C ATOM 1232 O HIS A 80 16.611 -5.928 97.593 1.00 0.00 O ATOM 1233 CB HIS A 80 13.588 -5.174 96.057 1.00 0.00 C ATOM 1234 CG HIS A 80 12.227 -5.091 96.696 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.341 -6.155 96.696 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.588 -4.071 97.353 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.225 -5.756 97.332 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.322 -4.491 97.752 1.00 0.00 N ATOM 0 H HIS A 80 14.479 -2.833 95.980 1.00 0.00 H new ATOM 0 HA HIS A 80 14.335 -4.905 98.054 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.608 -4.579 95.144 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.804 -6.203 95.771 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.004 -3.091 97.534 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.357 -6.381 97.484 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.620 -3.950 98.256 1.00 0.00 H new ATOM 1246 N VAL A 81 16.453 -5.191 95.521 1.00 0.00 N ATOM 1247 CA VAL A 81 17.765 -5.782 95.120 1.00 0.00 C ATOM 1248 C VAL A 81 17.994 -7.127 95.810 1.00 0.00 C ATOM 1249 O VAL A 81 19.070 -7.694 95.762 1.00 0.00 O ATOM 1250 CB VAL A 81 18.892 -4.784 95.414 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.992 -3.789 94.250 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.585 -4.000 96.694 1.00 0.00 C ATOM 0 H VAL A 81 15.967 -4.689 94.778 1.00 0.00 H new ATOM 0 HA VAL A 81 17.758 -5.978 94.048 1.00 0.00 H new ATOM 0 HB VAL A 81 19.827 -5.331 95.537 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.791 -3.075 94.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.209 -4.328 93.328 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.047 -3.256 94.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.393 -3.295 96.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.649 -3.455 96.571 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.494 -4.692 97.531 1.00 0.00 H new ATOM 1262 N SER A 82 16.970 -7.680 96.386 1.00 0.00 N ATOM 1263 CA SER A 82 17.099 -9.026 96.990 1.00 0.00 C ATOM 1264 C SER A 82 16.935 -10.005 95.833 1.00 0.00 C ATOM 1265 O SER A 82 17.372 -11.136 95.867 1.00 0.00 O ATOM 1266 CB SER A 82 15.996 -9.233 98.028 1.00 0.00 C ATOM 1267 OG SER A 82 15.685 -10.616 98.118 1.00 0.00 O ATOM 0 H SER A 82 16.046 -7.255 96.464 1.00 0.00 H new ATOM 0 HA SER A 82 18.054 -9.163 97.498 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.320 -8.858 98.999 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.108 -8.667 97.748 1.00 0.00 H new ATOM 0 HG SER A 82 15.539 -10.858 99.056 1.00 0.00 H new ATOM 1273 N CYS A 83 16.300 -9.530 94.790 1.00 0.00 N ATOM 1274 CA CYS A 83 16.077 -10.353 93.576 1.00 0.00 C ATOM 1275 C CYS A 83 17.317 -10.263 92.682 1.00 0.00 C ATOM 1276 O CYS A 83 17.879 -11.263 92.289 1.00 0.00 O ATOM 1277 CB CYS A 83 14.861 -9.803 92.829 1.00 0.00 C ATOM 1278 SG CYS A 83 14.757 -8.016 93.096 1.00 0.00 S ATOM 0 H CYS A 83 15.921 -8.585 94.735 1.00 0.00 H new ATOM 0 HA CYS A 83 15.901 -11.394 93.848 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.945 -10.019 91.764 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.952 -10.289 93.182 1.00 0.00 H new ATOM 0 HG CYS A 83 13.621 -7.575 92.644 1.00 0.00 H new ATOM 1284 N VAL A 84 17.759 -9.069 92.367 1.00 0.00 N ATOM 1285 CA VAL A 84 18.979 -8.929 91.517 1.00 0.00 C ATOM 1286 C VAL A 84 19.988 -9.982 91.961 1.00 0.00 C ATOM 1287 O VAL A 84 20.655 -10.606 91.165 1.00 0.00 O ATOM 1288 CB VAL A 84 19.608 -7.547 91.717 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.647 -6.455 91.246 1.00 0.00 C ATOM 1290 CG2 VAL A 84 19.925 -7.355 93.196 1.00 0.00 C ATOM 0 H VAL A 84 17.330 -8.192 92.661 1.00 0.00 H new ATOM 0 HA VAL A 84 18.708 -9.054 90.468 1.00 0.00 H new ATOM 0 HB VAL A 84 20.525 -7.478 91.131 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.106 -5.478 91.394 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.426 -6.596 90.188 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.722 -6.512 91.820 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.373 -6.373 93.348 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.006 -7.428 93.778 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.623 -8.127 93.522 1.00 0.00 H new ATOM 1300 N LYS A 85 20.097 -10.169 93.242 1.00 0.00 N ATOM 1301 CA LYS A 85 21.053 -11.162 93.785 1.00 0.00 C ATOM 1302 C LYS A 85 20.830 -12.549 93.139 1.00 0.00 C ATOM 1303 O LYS A 85 21.621 -12.995 92.327 1.00 0.00 O ATOM 1304 CB LYS A 85 20.846 -11.222 95.304 1.00 0.00 C ATOM 1305 CG LYS A 85 21.512 -9.998 95.972 1.00 0.00 C ATOM 1306 CD LYS A 85 22.400 -10.446 97.138 1.00 0.00 C ATOM 1307 CE LYS A 85 23.726 -10.987 96.596 1.00 0.00 C ATOM 1308 NZ LYS A 85 24.473 -11.657 97.695 1.00 0.00 N ATOM 0 H LYS A 85 19.555 -9.667 93.946 1.00 0.00 H new ATOM 0 HA LYS A 85 22.077 -10.867 93.557 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.781 -11.239 95.535 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.273 -12.142 95.702 1.00 0.00 H new ATOM 0 HG2 LYS A 85 22.109 -9.455 95.239 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.747 -9.310 96.332 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.585 -9.608 97.810 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.893 -11.215 97.720 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.540 -11.692 95.786 1.00 0.00 H new ATOM 0 HE3 LYS A 85 24.321 -10.173 96.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.374 -12.025 97.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.662 -10.972 98.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.906 -12.443 98.072 1.00 0.00 H new ATOM 1322 N LEU A 86 19.777 -13.242 93.488 1.00 0.00 N ATOM 1323 CA LEU A 86 19.547 -14.590 92.882 1.00 0.00 C ATOM 1324 C LEU A 86 19.311 -14.449 91.372 1.00 0.00 C ATOM 1325 O LEU A 86 19.179 -15.418 90.658 1.00 0.00 O ATOM 1326 CB LEU A 86 18.381 -15.295 93.620 1.00 0.00 C ATOM 1327 CG LEU A 86 17.046 -15.261 92.849 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.702 -13.834 92.411 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.088 -16.204 91.633 1.00 0.00 C ATOM 0 H LEU A 86 19.072 -12.938 94.160 1.00 0.00 H new ATOM 0 HA LEU A 86 20.428 -15.220 93.002 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.656 -16.333 93.806 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.240 -14.823 94.592 1.00 0.00 H new ATOM 0 HG LEU A 86 16.263 -15.609 93.523 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.756 -13.838 91.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.615 -13.195 93.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 17.490 -13.453 91.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.135 -16.161 91.106 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.888 -15.895 90.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 17.271 -17.224 91.970 1.00 0.00 H new ATOM 1341 N LEU A 87 19.276 -13.243 90.874 1.00 0.00 N ATOM 1342 CA LEU A 87 19.039 -13.052 89.417 1.00 0.00 C ATOM 1343 C LEU A 87 20.290 -13.400 88.602 1.00 0.00 C ATOM 1344 O LEU A 87 20.325 -14.407 87.920 1.00 0.00 O ATOM 1345 CB LEU A 87 18.656 -11.588 89.164 1.00 0.00 C ATOM 1346 CG LEU A 87 17.262 -11.497 88.541 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.818 -10.031 88.512 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.295 -12.049 87.116 1.00 0.00 C ATOM 0 H LEU A 87 19.401 -12.385 91.412 1.00 0.00 H new ATOM 0 HA LEU A 87 18.234 -13.717 89.104 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.678 -11.033 90.102 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.387 -11.124 88.502 1.00 0.00 H new ATOM 0 HG LEU A 87 16.560 -12.082 89.135 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.825 -9.960 88.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.790 -9.639 89.529 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.523 -9.449 87.918 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.300 -11.982 86.677 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.996 -11.468 86.517 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.613 -13.091 87.137 1.00 0.00 H new ATOM 1360 N LEU A 88 21.310 -12.581 88.628 1.00 0.00 N ATOM 1361 CA LEU A 88 22.502 -12.911 87.799 1.00 0.00 C ATOM 1362 C LEU A 88 22.998 -14.304 88.152 1.00 0.00 C ATOM 1363 O LEU A 88 23.807 -14.883 87.453 1.00 0.00 O ATOM 1364 CB LEU A 88 23.624 -11.862 87.934 1.00 0.00 C ATOM 1365 CG LEU A 88 24.345 -11.925 89.292 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.325 -11.966 90.422 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.259 -13.160 89.361 1.00 0.00 C ATOM 0 H LEU A 88 21.368 -11.721 89.173 1.00 0.00 H new ATOM 0 HA LEU A 88 22.199 -12.894 86.752 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.351 -12.011 87.136 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.201 -10.866 87.799 1.00 0.00 H new ATOM 0 HG LEU A 88 24.961 -11.032 89.400 1.00 0.00 H new ATOM 0 HD11 LEU A 88 23.844 -12.011 91.379 1.00 0.00 H new ATOM 0 HD12 LEU A 88 22.706 -11.069 90.386 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.694 -12.847 90.310 1.00 0.00 H new ATOM 0 HD21 LEU A 88 25.761 -13.188 90.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.661 -14.063 89.236 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.004 -13.106 88.567 1.00 0.00 H new ATOM 1379 N SER A 89 22.491 -14.865 89.210 1.00 0.00 N ATOM 1380 CA SER A 89 22.903 -16.242 89.578 1.00 0.00 C ATOM 1381 C SER A 89 22.570 -17.152 88.393 1.00 0.00 C ATOM 1382 O SER A 89 23.040 -18.267 88.293 1.00 0.00 O ATOM 1383 CB SER A 89 22.122 -16.706 90.813 1.00 0.00 C ATOM 1384 OG SER A 89 22.742 -17.866 91.355 1.00 0.00 O ATOM 0 H SER A 89 21.811 -14.430 89.834 1.00 0.00 H new ATOM 0 HA SER A 89 23.968 -16.275 89.808 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.095 -15.912 91.559 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.089 -16.925 90.543 1.00 0.00 H new ATOM 0 HG SER A 89 22.245 -18.163 92.146 1.00 0.00 H new ATOM 1390 N LYS A 90 21.752 -16.661 87.495 1.00 0.00 N ATOM 1391 CA LYS A 90 21.356 -17.449 86.298 1.00 0.00 C ATOM 1392 C LYS A 90 21.941 -16.775 85.050 1.00 0.00 C ATOM 1393 O LYS A 90 22.122 -17.394 84.020 1.00 0.00 O ATOM 1394 CB LYS A 90 19.822 -17.482 86.238 1.00 0.00 C ATOM 1395 CG LYS A 90 19.328 -17.787 84.817 1.00 0.00 C ATOM 1396 CD LYS A 90 18.102 -18.706 84.880 1.00 0.00 C ATOM 1397 CE LYS A 90 17.048 -18.126 85.834 1.00 0.00 C ATOM 1398 NZ LYS A 90 17.218 -18.720 87.191 1.00 0.00 N ATOM 0 H LYS A 90 21.337 -15.730 87.546 1.00 0.00 H new ATOM 0 HA LYS A 90 21.734 -18.470 86.349 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.445 -18.238 86.927 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.422 -16.523 86.567 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.073 -16.860 84.304 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.121 -18.263 84.240 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.675 -18.823 83.884 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.400 -19.699 85.217 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.148 -17.042 85.886 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.047 -18.336 85.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.286 -18.963 87.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.799 -19.580 87.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.688 -18.033 87.814 1.00 0.00 H new ATOM 1412 N GLY A 91 22.257 -15.513 85.142 1.00 0.00 N ATOM 1413 CA GLY A 91 22.847 -14.803 83.973 1.00 0.00 C ATOM 1414 C GLY A 91 22.441 -13.325 83.999 1.00 0.00 C ATOM 1415 O GLY A 91 22.995 -12.531 84.731 1.00 0.00 O ATOM 0 H GLY A 91 22.132 -14.942 85.978 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.933 -14.891 83.994 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.507 -15.266 83.046 1.00 0.00 H new ATOM 1419 N ALA A 92 21.469 -12.961 83.207 1.00 0.00 N ATOM 1420 CA ALA A 92 20.999 -11.540 83.171 1.00 0.00 C ATOM 1421 C ALA A 92 22.179 -10.558 83.198 1.00 0.00 C ATOM 1422 O ALA A 92 21.982 -9.366 83.329 1.00 0.00 O ATOM 1423 CB ALA A 92 20.122 -11.273 84.400 1.00 0.00 C ATOM 0 H ALA A 92 20.974 -13.591 82.576 1.00 0.00 H new ATOM 0 HA ALA A 92 20.440 -11.392 82.247 1.00 0.00 H new ATOM 0 HB1 ALA A 92 19.775 -10.240 84.382 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.263 -11.944 84.387 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.703 -11.445 85.306 1.00 0.00 H new ATOM 1429 N ASP A 93 23.393 -11.028 83.082 1.00 0.00 N ATOM 1430 CA ASP A 93 24.555 -10.087 83.119 1.00 0.00 C ATOM 1431 C ASP A 93 24.222 -8.933 84.089 1.00 0.00 C ATOM 1432 O ASP A 93 23.830 -9.166 85.214 1.00 0.00 O ATOM 1433 CB ASP A 93 24.805 -9.560 81.698 1.00 0.00 C ATOM 1434 CG ASP A 93 26.301 -9.309 81.491 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.028 -9.329 82.471 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.694 -9.106 80.355 1.00 0.00 O ATOM 0 H ASP A 93 23.631 -12.013 82.964 1.00 0.00 H new ATOM 0 HA ASP A 93 25.457 -10.589 83.469 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.443 -10.281 80.965 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.247 -8.637 81.540 1.00 0.00 H new ATOM 1441 N LYS A 94 24.340 -7.701 83.670 1.00 0.00 N ATOM 1442 CA LYS A 94 23.989 -6.569 84.583 1.00 0.00 C ATOM 1443 C LYS A 94 23.650 -5.328 83.742 1.00 0.00 C ATOM 1444 O LYS A 94 22.856 -4.496 84.131 1.00 0.00 O ATOM 1445 CB LYS A 94 25.147 -6.281 85.551 1.00 0.00 C ATOM 1446 CG LYS A 94 26.360 -5.719 84.802 1.00 0.00 C ATOM 1447 CD LYS A 94 27.114 -6.852 84.080 1.00 0.00 C ATOM 1448 CE LYS A 94 27.195 -6.550 82.582 1.00 0.00 C ATOM 1449 NZ LYS A 94 28.308 -7.332 81.980 1.00 0.00 N ATOM 0 H LYS A 94 24.662 -7.428 82.741 1.00 0.00 H new ATOM 0 HA LYS A 94 23.119 -6.839 85.181 1.00 0.00 H new ATOM 0 HB2 LYS A 94 24.823 -5.570 86.311 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.428 -7.197 86.071 1.00 0.00 H new ATOM 0 HG2 LYS A 94 26.035 -4.971 84.079 1.00 0.00 H new ATOM 0 HG3 LYS A 94 27.028 -5.217 85.502 1.00 0.00 H new ATOM 0 HD2 LYS A 94 28.117 -6.955 84.494 1.00 0.00 H new ATOM 0 HD3 LYS A 94 26.603 -7.801 84.242 1.00 0.00 H new ATOM 0 HE2 LYS A 94 26.253 -6.805 82.097 1.00 0.00 H new ATOM 0 HE3 LYS A 94 27.357 -5.484 82.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 28.212 -7.332 80.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 29.217 -6.901 82.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 28.275 -8.310 82.331 1.00 0.00 H new ATOM 1463 N THR A 95 24.221 -5.229 82.573 1.00 0.00 N ATOM 1464 CA THR A 95 23.925 -4.088 81.661 1.00 0.00 C ATOM 1465 C THR A 95 23.692 -4.698 80.284 1.00 0.00 C ATOM 1466 O THR A 95 24.181 -4.226 79.276 1.00 0.00 O ATOM 1467 CB THR A 95 25.122 -3.128 81.609 1.00 0.00 C ATOM 1468 OG1 THR A 95 25.678 -2.996 82.909 1.00 0.00 O ATOM 1469 CG2 THR A 95 24.663 -1.757 81.108 1.00 0.00 C ATOM 0 H THR A 95 24.892 -5.903 82.205 1.00 0.00 H new ATOM 0 HA THR A 95 23.059 -3.521 82.002 1.00 0.00 H new ATOM 0 HB THR A 95 25.875 -3.526 80.929 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.656 -2.979 82.846 1.00 0.00 H new ATOM 0 HG21 THR A 95 25.515 -1.079 81.073 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.238 -1.858 80.109 1.00 0.00 H new ATOM 0 HG23 THR A 95 23.908 -1.356 81.785 1.00 0.00 H new ATOM 1477 N VAL A 96 22.975 -5.786 80.259 1.00 0.00 N ATOM 1478 CA VAL A 96 22.728 -6.502 78.988 1.00 0.00 C ATOM 1479 C VAL A 96 21.649 -5.786 78.165 1.00 0.00 C ATOM 1480 O VAL A 96 21.401 -6.136 77.031 1.00 0.00 O ATOM 1481 CB VAL A 96 22.307 -7.952 79.330 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.921 -8.283 78.762 1.00 0.00 C ATOM 1483 CG2 VAL A 96 23.335 -8.935 78.759 1.00 0.00 C ATOM 0 H VAL A 96 22.545 -6.212 81.080 1.00 0.00 H new ATOM 0 HA VAL A 96 23.632 -6.518 78.380 1.00 0.00 H new ATOM 0 HB VAL A 96 22.263 -8.042 80.415 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.657 -9.308 79.021 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.183 -7.601 79.184 1.00 0.00 H new ATOM 0 HG13 VAL A 96 20.937 -8.175 77.677 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.037 -9.955 79.001 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.387 -8.819 77.676 1.00 0.00 H new ATOM 0 HG23 VAL A 96 24.314 -8.731 79.193 1.00 0.00 H new ATOM 1493 N LYS A 97 21.010 -4.779 78.704 1.00 0.00 N ATOM 1494 CA LYS A 97 19.968 -4.067 77.899 1.00 0.00 C ATOM 1495 C LYS A 97 19.677 -2.674 78.479 1.00 0.00 C ATOM 1496 O LYS A 97 18.787 -1.987 78.020 1.00 0.00 O ATOM 1497 CB LYS A 97 18.671 -4.901 77.868 1.00 0.00 C ATOM 1498 CG LYS A 97 18.433 -5.472 76.457 1.00 0.00 C ATOM 1499 CD LYS A 97 17.689 -4.446 75.587 1.00 0.00 C ATOM 1500 CE LYS A 97 18.677 -3.424 75.012 1.00 0.00 C ATOM 1501 NZ LYS A 97 18.086 -2.790 73.801 1.00 0.00 N ATOM 0 H LYS A 97 21.159 -4.423 79.648 1.00 0.00 H new ATOM 0 HA LYS A 97 20.347 -3.942 76.885 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.737 -5.715 78.590 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.825 -4.281 78.164 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.386 -5.728 75.995 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.853 -6.393 76.522 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.168 -4.955 74.776 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.931 -3.936 76.181 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.906 -2.664 75.759 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.617 -3.914 74.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.756 -2.097 73.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.889 -3.521 73.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.200 -2.309 74.058 1.00 0.00 H new ATOM 1515 N GLY A 98 20.415 -2.236 79.462 1.00 0.00 N ATOM 1516 CA GLY A 98 20.155 -0.878 80.019 1.00 0.00 C ATOM 1517 C GLY A 98 20.702 0.163 79.037 1.00 0.00 C ATOM 1518 O GLY A 98 21.250 -0.197 78.014 1.00 0.00 O ATOM 0 H GLY A 98 21.178 -2.752 79.900 1.00 0.00 H new ATOM 0 HA2 GLY A 98 19.086 -0.730 80.172 1.00 0.00 H new ATOM 0 HA3 GLY A 98 20.634 -0.770 80.992 1.00 0.00 H new ATOM 1522 N PRO A 99 20.561 1.425 79.368 1.00 0.00 N ATOM 1523 CA PRO A 99 21.069 2.502 78.505 1.00 0.00 C ATOM 1524 C PRO A 99 22.553 2.277 78.282 1.00 0.00 C ATOM 1525 O PRO A 99 22.970 1.715 77.287 1.00 0.00 O ATOM 1526 CB PRO A 99 20.812 3.799 79.297 1.00 0.00 C ATOM 1527 CG PRO A 99 20.210 3.392 80.667 1.00 0.00 C ATOM 1528 CD PRO A 99 19.908 1.881 80.610 1.00 0.00 C ATOM 0 HA PRO A 99 20.591 2.542 77.526 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.739 4.355 79.435 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.127 4.451 78.755 1.00 0.00 H new ATOM 0 HG2 PRO A 99 20.909 3.613 81.474 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.300 3.957 80.869 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.306 1.363 81.482 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.835 1.690 80.588 1.00 0.00 H new ATOM 1536 N ASP A 100 23.345 2.689 79.217 1.00 0.00 N ATOM 1537 CA ASP A 100 24.804 2.491 79.103 1.00 0.00 C ATOM 1538 C ASP A 100 25.295 1.857 80.400 1.00 0.00 C ATOM 1539 O ASP A 100 24.629 1.034 81.001 1.00 0.00 O ATOM 1540 CB ASP A 100 25.491 3.844 78.880 1.00 0.00 C ATOM 1541 CG ASP A 100 26.870 3.618 78.259 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.375 2.514 78.378 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.395 4.549 77.670 1.00 0.00 O ATOM 0 H ASP A 100 23.040 3.161 80.068 1.00 0.00 H new ATOM 0 HA ASP A 100 25.039 1.843 78.259 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.883 4.469 78.226 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.589 4.375 79.827 1.00 0.00 H new ATOM 1548 N GLY A 101 26.447 2.236 80.839 1.00 0.00 N ATOM 1549 CA GLY A 101 26.985 1.658 82.098 1.00 0.00 C ATOM 1550 C GLY A 101 26.013 1.935 83.247 1.00 0.00 C ATOM 1551 O GLY A 101 26.269 1.594 84.394 1.00 0.00 O ATOM 0 H GLY A 101 27.047 2.924 80.384 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.132 0.584 81.983 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.960 2.091 82.321 1.00 0.00 H new ATOM 1555 N LEU A 102 24.892 2.543 82.957 1.00 0.00 N ATOM 1556 CA LEU A 102 23.921 2.834 84.041 1.00 0.00 C ATOM 1557 C LEU A 102 23.775 1.605 84.907 1.00 0.00 C ATOM 1558 O LEU A 102 24.173 1.603 86.056 1.00 0.00 O ATOM 1559 CB LEU A 102 22.551 3.209 83.460 1.00 0.00 C ATOM 1560 CG LEU A 102 21.593 3.725 84.560 1.00 0.00 C ATOM 1561 CD1 LEU A 102 20.219 3.998 83.947 1.00 0.00 C ATOM 1562 CD2 LEU A 102 21.423 2.699 85.683 1.00 0.00 C ATOM 0 H LEU A 102 24.613 2.846 82.024 1.00 0.00 H new ATOM 0 HA LEU A 102 24.289 3.675 84.629 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.676 3.976 82.695 1.00 0.00 H new ATOM 0 HB3 LEU A 102 22.111 2.340 82.971 1.00 0.00 H new ATOM 0 HG LEU A 102 22.024 4.635 84.977 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.542 4.362 84.720 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.313 4.750 83.164 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.822 3.077 83.520 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.744 3.095 86.438 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.012 1.776 85.274 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.392 2.494 86.138 1.00 0.00 H new ATOM 1574 N THR A 103 23.182 0.566 84.386 1.00 0.00 N ATOM 1575 CA THR A 103 22.976 -0.641 85.223 1.00 0.00 C ATOM 1576 C THR A 103 23.042 -0.214 86.691 1.00 0.00 C ATOM 1577 O THR A 103 22.194 0.512 87.181 1.00 0.00 O ATOM 1578 CB THR A 103 24.053 -1.685 84.931 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.097 -2.610 86.008 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.406 -1.000 84.781 1.00 0.00 C ATOM 0 H THR A 103 22.836 0.503 83.428 1.00 0.00 H new ATOM 0 HA THR A 103 22.007 -1.088 85.000 1.00 0.00 H new ATOM 0 HB THR A 103 23.820 -2.209 84.004 1.00 0.00 H new ATOM 0 HG1 THR A 103 23.716 -3.466 85.720 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.171 -1.748 84.573 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.363 -0.286 83.959 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.653 -0.476 85.704 1.00 0.00 H new ATOM 1588 N ALA A 104 24.054 -0.630 87.389 1.00 0.00 N ATOM 1589 CA ALA A 104 24.179 -0.229 88.817 1.00 0.00 C ATOM 1590 C ALA A 104 25.036 1.042 88.953 1.00 0.00 C ATOM 1591 O ALA A 104 24.911 1.775 89.914 1.00 0.00 O ATOM 1592 CB ALA A 104 24.827 -1.368 89.600 1.00 0.00 C ATOM 0 H ALA A 104 24.800 -1.229 87.037 1.00 0.00 H new ATOM 0 HA ALA A 104 23.186 -0.019 89.213 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.922 -1.082 90.647 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.207 -2.261 89.523 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.815 -1.576 89.190 1.00 0.00 H new ATOM 1598 N LEU A 105 25.927 1.291 88.018 1.00 0.00 N ATOM 1599 CA LEU A 105 26.820 2.486 88.114 1.00 0.00 C ATOM 1600 C LEU A 105 26.032 3.797 88.245 1.00 0.00 C ATOM 1601 O LEU A 105 26.023 4.422 89.287 1.00 0.00 O ATOM 1602 CB LEU A 105 27.682 2.579 86.854 1.00 0.00 C ATOM 1603 CG LEU A 105 28.290 1.219 86.508 1.00 0.00 C ATOM 1604 CD1 LEU A 105 29.293 1.395 85.366 1.00 0.00 C ATOM 1605 CD2 LEU A 105 29.008 0.640 87.726 1.00 0.00 C ATOM 0 H LEU A 105 26.072 0.713 87.190 1.00 0.00 H new ATOM 0 HA LEU A 105 27.430 2.357 89.008 1.00 0.00 H new ATOM 0 HB2 LEU A 105 27.077 2.934 86.020 1.00 0.00 H new ATOM 0 HB3 LEU A 105 28.477 3.309 87.005 1.00 0.00 H new ATOM 0 HG LEU A 105 27.496 0.537 86.206 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.731 0.429 85.114 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.782 1.801 84.493 1.00 0.00 H new ATOM 0 HD13 LEU A 105 30.081 2.081 85.677 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.437 -0.328 87.469 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.803 1.318 88.036 1.00 0.00 H new ATOM 0 HD23 LEU A 105 28.297 0.516 88.543 1.00 0.00 H new ATOM 1617 N GLU A 106 25.421 4.255 87.185 1.00 0.00 N ATOM 1618 CA GLU A 106 24.704 5.553 87.246 1.00 0.00 C ATOM 1619 C GLU A 106 23.357 5.384 87.945 1.00 0.00 C ATOM 1620 O GLU A 106 22.555 6.298 87.991 1.00 0.00 O ATOM 1621 CB GLU A 106 24.484 6.072 85.819 1.00 0.00 C ATOM 1622 CG GLU A 106 25.780 5.948 85.011 1.00 0.00 C ATOM 1623 CD GLU A 106 26.768 7.027 85.456 1.00 0.00 C ATOM 1624 OE1 GLU A 106 26.429 8.193 85.347 1.00 0.00 O ATOM 1625 OE2 GLU A 106 27.847 6.668 85.899 1.00 0.00 O ATOM 0 H GLU A 106 25.390 3.783 86.281 1.00 0.00 H new ATOM 0 HA GLU A 106 25.302 6.267 87.812 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.689 5.505 85.335 1.00 0.00 H new ATOM 0 HB3 GLU A 106 24.162 7.113 85.847 1.00 0.00 H new ATOM 0 HG2 GLU A 106 26.217 4.960 85.155 1.00 0.00 H new ATOM 0 HG3 GLU A 106 25.568 6.051 83.947 1.00 0.00 H new ATOM 1632 N ALA A 107 23.092 4.229 88.492 1.00 0.00 N ATOM 1633 CA ALA A 107 21.783 4.032 89.177 1.00 0.00 C ATOM 1634 C ALA A 107 21.769 4.662 90.578 1.00 0.00 C ATOM 1635 O ALA A 107 20.850 5.382 90.915 1.00 0.00 O ATOM 1636 CB ALA A 107 21.481 2.542 89.309 1.00 0.00 C ATOM 0 H ALA A 107 23.716 3.422 88.495 1.00 0.00 H new ATOM 0 HA ALA A 107 21.024 4.523 88.568 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.523 2.408 89.811 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.438 2.090 88.318 1.00 0.00 H new ATOM 0 HB3 ALA A 107 22.266 2.062 89.893 1.00 0.00 H new ATOM 1642 N THR A 108 22.728 4.378 91.427 1.00 0.00 N ATOM 1643 CA THR A 108 22.653 4.960 92.799 1.00 0.00 C ATOM 1644 C THR A 108 24.020 5.034 93.479 1.00 0.00 C ATOM 1645 O THR A 108 25.048 5.202 92.852 1.00 0.00 O ATOM 1646 CB THR A 108 21.756 4.058 93.638 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.631 4.591 94.950 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.387 2.666 93.704 1.00 0.00 C ATOM 0 H THR A 108 23.536 3.786 91.236 1.00 0.00 H new ATOM 0 HA THR A 108 22.266 5.976 92.716 1.00 0.00 H new ATOM 0 HB THR A 108 20.765 3.996 93.187 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.710 5.567 94.915 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.756 2.008 94.302 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.481 2.261 92.696 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.374 2.735 94.161 1.00 0.00 H new ATOM 1656 N ASP A 109 24.010 4.895 94.785 1.00 0.00 N ATOM 1657 CA ASP A 109 25.265 4.933 95.579 1.00 0.00 C ATOM 1658 C ASP A 109 25.176 3.924 96.732 1.00 0.00 C ATOM 1659 O ASP A 109 26.130 3.723 97.459 1.00 0.00 O ATOM 1660 CB ASP A 109 25.490 6.335 96.144 1.00 0.00 C ATOM 1661 CG ASP A 109 26.923 6.443 96.670 1.00 0.00 C ATOM 1662 OD1 ASP A 109 27.837 6.288 95.877 1.00 0.00 O ATOM 1663 OD2 ASP A 109 27.082 6.678 97.857 1.00 0.00 O ATOM 0 H ASP A 109 23.164 4.754 95.338 1.00 0.00 H new ATOM 0 HA ASP A 109 26.101 4.674 94.930 1.00 0.00 H new ATOM 0 HB2 ASP A 109 25.317 7.084 95.371 1.00 0.00 H new ATOM 0 HB3 ASP A 109 24.780 6.535 96.946 1.00 0.00 H new ATOM 1668 N ASN A 110 24.053 3.265 96.906 1.00 0.00 N ATOM 1669 CA ASN A 110 23.971 2.261 98.008 1.00 0.00 C ATOM 1670 C ASN A 110 24.740 1.018 97.545 1.00 0.00 C ATOM 1671 O ASN A 110 24.705 0.649 96.390 1.00 0.00 O ATOM 1672 CB ASN A 110 22.511 1.921 98.351 1.00 0.00 C ATOM 1673 CG ASN A 110 21.853 1.179 97.199 1.00 0.00 C ATOM 1674 OD1 ASN A 110 22.421 1.204 96.038 1.00 0.00 O flip ATOM 1675 ND2 ASN A 110 20.813 0.569 97.361 1.00 0.00 N flip ATOM 0 H ASN A 110 23.209 3.377 96.345 1.00 0.00 H new ATOM 0 HA ASN A 110 24.410 2.663 98.921 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.476 1.310 99.253 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.959 2.836 98.565 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.369 0.553 98.279 1.00 0.00 H new ATOM 0 HD22 ASN A 110 20.385 0.074 96.579 1.00 0.00 H new ATOM 1682 N GLN A 111 25.492 0.421 98.418 1.00 0.00 N ATOM 1683 CA GLN A 111 26.342 -0.741 98.021 1.00 0.00 C ATOM 1684 C GLN A 111 25.527 -2.014 97.696 1.00 0.00 C ATOM 1685 O GLN A 111 26.093 -3.052 97.425 1.00 0.00 O ATOM 1686 CB GLN A 111 27.338 -0.990 99.157 1.00 0.00 C ATOM 1687 CG GLN A 111 28.009 -2.357 99.014 1.00 0.00 C ATOM 1688 CD GLN A 111 29.266 -2.385 99.883 1.00 0.00 C ATOM 1689 OE1 GLN A 111 29.385 -3.198 100.778 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.214 -1.520 99.655 1.00 0.00 N ATOM 0 H GLN A 111 25.559 0.686 99.401 1.00 0.00 H new ATOM 0 HA GLN A 111 26.861 -0.499 97.093 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.097 -0.208 99.157 1.00 0.00 H new ATOM 0 HB3 GLN A 111 26.822 -0.934 100.116 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.323 -3.147 99.318 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.267 -2.543 97.971 1.00 0.00 H new ATOM 0 HE21 GLN A 111 30.112 -0.838 98.903 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.058 -1.525 100.228 1.00 0.00 H new ATOM 1699 N ALA A 112 24.222 -1.958 97.671 1.00 0.00 N ATOM 1700 CA ALA A 112 23.448 -3.188 97.318 1.00 0.00 C ATOM 1701 C ALA A 112 23.319 -3.256 95.798 1.00 0.00 C ATOM 1702 O ALA A 112 23.584 -4.264 95.160 1.00 0.00 O ATOM 1703 CB ALA A 112 22.055 -3.129 97.953 1.00 0.00 C ATOM 0 H ALA A 112 23.664 -1.129 97.876 1.00 0.00 H new ATOM 0 HA ALA A 112 23.964 -4.073 97.692 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.497 -4.028 97.691 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.152 -3.064 99.037 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.523 -2.252 97.583 1.00 0.00 H new ATOM 1709 N ILE A 113 22.960 -2.164 95.220 1.00 0.00 N ATOM 1710 CA ILE A 113 22.842 -2.090 93.743 1.00 0.00 C ATOM 1711 C ILE A 113 24.235 -2.246 93.180 1.00 0.00 C ATOM 1712 O ILE A 113 24.500 -3.023 92.279 1.00 0.00 O ATOM 1713 CB ILE A 113 22.347 -0.686 93.371 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.816 -0.613 93.402 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.851 -0.299 91.975 1.00 0.00 C ATOM 1716 CD1 ILE A 113 20.315 -0.503 94.848 1.00 0.00 C ATOM 0 H ILE A 113 22.737 -1.298 95.711 1.00 0.00 H new ATOM 0 HA ILE A 113 22.162 -2.852 93.362 1.00 0.00 H new ATOM 0 HB ILE A 113 22.742 0.014 94.108 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.475 0.247 92.826 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.394 -1.500 92.931 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.493 0.699 91.723 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.941 -0.306 91.967 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.478 -1.014 91.242 1.00 0.00 H new ATOM 0 HD11 ILE A 113 19.226 -0.452 94.853 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.640 -1.377 95.413 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.722 0.398 95.307 1.00 0.00 H new ATOM 1728 N LYS A 114 25.124 -1.487 93.717 1.00 0.00 N ATOM 1729 CA LYS A 114 26.508 -1.533 93.251 1.00 0.00 C ATOM 1730 C LYS A 114 26.994 -2.976 93.363 1.00 0.00 C ATOM 1731 O LYS A 114 28.012 -3.348 92.815 1.00 0.00 O ATOM 1732 CB LYS A 114 27.354 -0.576 94.097 1.00 0.00 C ATOM 1733 CG LYS A 114 26.574 0.741 94.357 1.00 0.00 C ATOM 1734 CD LYS A 114 27.018 1.851 93.390 1.00 0.00 C ATOM 1735 CE LYS A 114 26.127 1.832 92.146 1.00 0.00 C ATOM 1736 NZ LYS A 114 26.583 2.879 91.193 1.00 0.00 N ATOM 0 H LYS A 114 24.943 -0.826 94.473 1.00 0.00 H new ATOM 0 HA LYS A 114 26.592 -1.215 92.212 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.612 -1.048 95.045 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.291 -0.357 93.585 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.505 0.562 94.243 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.735 1.065 95.385 1.00 0.00 H new ATOM 0 HD2 LYS A 114 26.954 2.822 93.881 1.00 0.00 H new ATOM 0 HD3 LYS A 114 28.060 1.705 93.106 1.00 0.00 H new ATOM 0 HE2 LYS A 114 26.167 0.851 91.672 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.089 2.008 92.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 25.884 2.983 90.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 26.685 3.784 91.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 27.500 2.603 90.787 1.00 0.00 H new ATOM 1750 N ALA A 115 26.246 -3.796 94.053 1.00 0.00 N ATOM 1751 CA ALA A 115 26.626 -5.224 94.184 1.00 0.00 C ATOM 1752 C ALA A 115 26.531 -5.877 92.817 1.00 0.00 C ATOM 1753 O ALA A 115 27.380 -6.651 92.436 1.00 0.00 O ATOM 1754 CB ALA A 115 25.688 -5.946 95.155 1.00 0.00 C ATOM 0 H ALA A 115 25.385 -3.532 94.532 1.00 0.00 H new ATOM 0 HA ALA A 115 27.643 -5.290 94.571 1.00 0.00 H new ATOM 0 HB1 ALA A 115 25.984 -6.992 95.237 1.00 0.00 H new ATOM 0 HB2 ALA A 115 25.747 -5.474 96.136 1.00 0.00 H new ATOM 0 HB3 ALA A 115 24.665 -5.886 94.784 1.00 0.00 H new ATOM 1760 N LEU A 116 25.524 -5.568 92.050 1.00 0.00 N ATOM 1761 CA LEU A 116 25.462 -6.198 90.704 1.00 0.00 C ATOM 1762 C LEU A 116 26.652 -5.663 89.905 1.00 0.00 C ATOM 1763 O LEU A 116 27.097 -6.263 88.946 1.00 0.00 O ATOM 1764 CB LEU A 116 24.137 -5.839 90.009 1.00 0.00 C ATOM 1765 CG LEU A 116 23.166 -7.039 90.010 1.00 0.00 C ATOM 1766 CD1 LEU A 116 21.931 -6.682 89.169 1.00 0.00 C ATOM 1767 CD2 LEU A 116 23.837 -8.280 89.400 1.00 0.00 C ATOM 0 H LEU A 116 24.765 -4.929 92.285 1.00 0.00 H new ATOM 0 HA LEU A 116 25.507 -7.285 90.778 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.674 -4.992 90.516 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.334 -5.527 88.983 1.00 0.00 H new ATOM 0 HG LEU A 116 22.881 -7.259 91.039 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.239 -7.524 89.164 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.438 -5.810 89.598 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.239 -6.459 88.147 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.136 -9.115 89.410 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.132 -8.066 88.373 1.00 0.00 H new ATOM 0 HD23 LEU A 116 24.720 -8.540 89.984 1.00 0.00 H new ATOM 1779 N LEU A 117 27.199 -4.555 90.331 1.00 0.00 N ATOM 1780 CA LEU A 117 28.395 -4.005 89.641 1.00 0.00 C ATOM 1781 C LEU A 117 29.605 -4.699 90.260 1.00 0.00 C ATOM 1782 O LEU A 117 30.742 -4.436 89.944 1.00 0.00 O ATOM 1783 CB LEU A 117 28.417 -2.469 89.820 1.00 0.00 C ATOM 1784 CG LEU A 117 29.633 -1.972 90.636 1.00 0.00 C ATOM 1785 CD1 LEU A 117 30.908 -1.997 89.778 1.00 0.00 C ATOM 1786 CD2 LEU A 117 29.381 -0.522 91.096 1.00 0.00 C ATOM 0 H LEU A 117 26.867 -4.010 91.127 1.00 0.00 H new ATOM 0 HA LEU A 117 28.392 -4.189 88.567 1.00 0.00 H new ATOM 0 HB2 LEU A 117 28.427 -1.995 88.839 1.00 0.00 H new ATOM 0 HB3 LEU A 117 27.500 -2.154 90.317 1.00 0.00 H new ATOM 0 HG LEU A 117 29.764 -2.630 91.495 1.00 0.00 H new ATOM 0 HD11 LEU A 117 31.752 -1.644 90.370 1.00 0.00 H new ATOM 0 HD12 LEU A 117 31.101 -3.016 89.443 1.00 0.00 H new ATOM 0 HD13 LEU A 117 30.776 -1.349 88.912 1.00 0.00 H new ATOM 0 HD21 LEU A 117 30.237 -0.169 91.672 1.00 0.00 H new ATOM 0 HD22 LEU A 117 29.241 0.117 90.224 1.00 0.00 H new ATOM 0 HD23 LEU A 117 28.486 -0.488 91.718 1.00 0.00 H new ATOM 1798 N GLN A 118 29.333 -5.622 91.137 1.00 0.00 N ATOM 1799 CA GLN A 118 30.412 -6.385 91.799 1.00 0.00 C ATOM 1800 C GLN A 118 31.036 -7.355 90.794 1.00 0.00 C ATOM 1801 O GLN A 118 32.231 -7.580 90.881 1.00 0.00 O ATOM 1802 CB GLN A 118 29.810 -7.170 92.954 1.00 0.00 C ATOM 1803 CG GLN A 118 30.912 -7.893 93.702 1.00 0.00 C ATOM 1804 CD GLN A 118 30.322 -8.641 94.905 1.00 0.00 C ATOM 1805 OE1 GLN A 118 29.387 -8.079 95.623 1.00 0.00 O flip ATOM 1806 NE2 GLN A 118 30.719 -9.754 95.192 1.00 0.00 N flip ATOM 1807 OXT GLN A 118 30.306 -7.853 89.955 1.00 0.00 O ATOM 0 H GLN A 118 28.389 -5.881 91.425 1.00 0.00 H new ATOM 0 HA GLN A 118 31.181 -5.706 92.169 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.279 -6.497 93.628 1.00 0.00 H new ATOM 0 HB3 GLN A 118 29.080 -7.887 92.579 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.415 -8.595 93.037 1.00 0.00 H new ATOM 0 HG3 GLN A 118 31.664 -7.179 94.039 1.00 0.00 H new ATOM 0 HE21 GLN A 118 31.449 -10.195 94.633 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.322 -10.247 95.992 1.00 0.00 H new